data_6g8o_residue ############################ # Computer software used # ############################ 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 6g8o _Structure_validation_residue.Date_analyzed 2019-01-25 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 N--CA 1.46 -0.457 0 CA-C-O 120.864 0.276 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.36 -12.55 12.38 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 p -126.53 167.79 15.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.626 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.425 ' O ' HD22 ' A' ' 9' ' ' LEU . 2.5 tm? -58.77 -52.01 67.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.321 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.523 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 11.4 t-80 -51.49 -46.49 63.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.681 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.53 -33.87 76.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.986 0.422 . . . . 0.0 110.998 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 57' ' ' ALA . 2.8 tm? -68.33 -42.0 79.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.104 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 14' ' ' LEU . 4.5 mm? -62.18 -38.42 89.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.281 176.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 45.0 mt-10 -64.94 -33.33 75.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.221 0.534 . . . . 0.0 110.464 176.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.582 ' NH2' HD22 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -66.43 -42.27 87.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.467 -176.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.509 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.0 pt -94.51 -9.13 9.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.023 -175.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.18 22.21 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.7 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' HD11 ' A' ' 9' ' ' LEU . 2.7 mm? -121.2 29.69 7.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.694 0.283 . . . . 0.0 110.564 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.455 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.4 pt-20 -63.51 -14.18 48.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.008 0.432 . . . . 0.0 110.492 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.55 -23.29 66.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.573 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -114.25 9.5 17.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.739 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 24.1 m -54.89 -46.12 74.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 110.405 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.581 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.0 m -62.81 -38.68 91.64 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.189 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -57.05 -51.53 68.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.059 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.8 mm? -59.73 -52.88 63.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.028 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 tp -53.57 -47.91 69.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.489 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 19' ' ' SER . 95.5 mt -67.88 -28.23 67.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.342 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 30.6 m-80 -93.21 12.39 24.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -178.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.68 1.54 57.55 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.025 171.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.463 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 99.1 m-85 -92.94 85.39 5.13 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.326 0.584 . . . . 0.0 109.599 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.73 -17.84 14.26 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.593 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.8 p -127.58 167.67 16.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.738 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.71 -27.49 67.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 43.5 mt-10 -69.45 -27.73 65.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.651 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -81.11 -45.89 15.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.302 0.572 . . . . 0.0 109.766 174.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.46 -29.94 70.67 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.743 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.8 ptpt -65.43 -9.98 30.02 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.115 -0.366 . . . . 0.0 111.08 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -100.02 -4.5 29.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.135 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.5 tm? -67.53 126.62 29.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.303 -177.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -126.11 169.86 12.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.297 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.58 -41.28 96.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.186 0.517 . . . . 0.0 109.994 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 7.9 m -58.57 -25.24 62.32 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.297 177.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.412 ' O ' HD11 ' A' ' 43' ' ' LEU . 34.9 m170 -79.07 -40.7 30.55 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.486 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.492 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -59.6 -31.82 69.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.723 175.519 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 38' ' ' THR . 7.4 m-20 -56.49 -41.84 77.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.203 171.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.03 -41.06 62.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.794 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.422 ' HG ' ' CG ' ' A' ' 24' ' ' ASN . 10.8 mp -73.68 -5.7 42.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.11 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.48 29.92 10.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.391 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 65.6 mt -93.32 79.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.792 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.465 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 2.9 mmt -88.32 1.54 54.39 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.352 -176.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.561 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 71.2 m-20 -59.05 102.78 0.32 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.446 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 41.2 Cg_exo -54.48 -56.45 2.48 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.897 2.398 . . . . 0.0 114.226 -165.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 43.3 mt-30 -72.57 -32.14 65.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.912 0.387 . . . . 0.0 110.707 -178.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 51.3 m170 -64.82 -41.31 95.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.601 ' O ' HD21 ' A' ' 55' ' ' LEU . 39.4 mtp180 -53.54 -56.36 17.75 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.98 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.459 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.6 -42.33 61.88 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.25 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.592 ' O ' HG22 ' B' ' 56' ' ' THR . 31.0 mtpt -65.73 -52.72 48.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -53.87 -45.69 71.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.439 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.643 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.45 -47.03 83.56 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.987 -179.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.572 HG22 ' O ' ' B' ' 53' ' ' LYS . 45.1 m -61.24 -40.86 95.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.112 0.482 . . . . 0.0 110.972 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.537 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -59.62 -45.81 90.85 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.973 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.26 94.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.248 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 8.6 mm-40 -58.3 -53.02 62.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.356 0.598 . . . . 0.0 110.215 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.453 HD21 ' HA ' ' B' ' 57' ' ' ALA . 8.3 mp -69.67 -38.76 77.17 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.974 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 56.4 mt -63.35 -23.99 67.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 118.267 0.485 . . . . 0.0 111.375 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.558 HD22 ' NH2' ' B' ' 11' ' ' ARG . 30.2 tp -72.66 -28.3 62.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.731 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -110.45 -37.67 5.43 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.314 -174.608 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 N--CA 1.459 -0.545 0 CA-C-O 120.854 0.273 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.27 -12.2 12.48 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 33.5 p -126.88 167.66 15.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.599 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.423 ' O ' HD22 ' B' ' 9' ' ' LEU . 2.5 tm? -58.45 -52.0 67.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.515 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.515 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 11.3 t-80 -51.62 -46.36 63.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.693 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -64.53 -33.97 77.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.0 0.429 . . . . 0.0 110.954 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' B' ' 57' ' ' ALA . 2.8 tm? -68.2 -41.93 80.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.144 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.442 HD11 ' O ' ' B' ' 14' ' ' LEU . 4.5 mm? -62.4 -38.32 89.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.267 176.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 45.1 mt-10 -64.66 -34.05 77.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.558 ' NH2' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.68 -42.7 90.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.611 -176.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.512 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.2 pt -93.89 -9.92 9.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.927 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.07 28.5 20.48 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.657 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.442 ' O ' HD11 ' B' ' 9' ' ' LEU . 2.7 mm? -121.46 30.01 6.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.629 0.252 . . . . 0.0 110.582 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.452 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.6 pt-20 -63.58 -14.47 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.961 0.41 . . . . 0.0 110.411 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.12 -23.53 66.6 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.656 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -114.24 9.45 17.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.695 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 24.1 m -54.75 -46.22 74.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.332 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 13.1 m -62.72 -38.92 92.38 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.23 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -56.83 -51.6 68.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.2 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.8 mm? -59.75 -52.65 64.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.122 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 tp -53.79 -47.73 70.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.532 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 19' ' ' SER . 95.5 mt -67.85 -28.36 67.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.365 -177.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.419 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 30.6 m-80 -93.26 12.51 24.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.209 0.528 . . . . 0.0 111.172 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.74 1.3 57.51 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.082 171.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.462 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 98.7 m-85 -92.7 85.57 5.28 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.371 0.605 . . . . 0.0 109.687 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.91 -17.46 14.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.468 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 65.7 p -127.89 167.36 16.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.91 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.38 -27.98 68.28 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.413 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 43.2 mt-10 -69.15 -27.71 65.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.576 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -81.16 -45.63 16.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -65.72 -30.04 70.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.792 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.9 ptpt -65.39 -9.85 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.034 -0.416 . . . . 0.0 111.135 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -100.05 -4.44 29.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.313 0.578 . . . . 0.0 110.084 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.411 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.5 tm? -67.81 126.49 29.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.291 -177.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -126.17 169.86 12.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.265 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.61 -41.15 96.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.129 0.49 . . . . 0.0 109.93 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' B' ' 41' ' ' ASN . 8.3 m -58.89 -25.09 63.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.396 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -79.07 -40.83 30.22 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.419 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.511 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 0.2 OUTLIER -59.5 -31.98 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.748 175.516 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' B' ' 38' ' ' THR . 7.2 m-20 -56.68 -41.38 77.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.155 171.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -74.59 -40.57 61.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.792 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.419 ' HG ' ' CG ' ' B' ' 24' ' ' ASN . 10.8 mp -74.18 -5.32 41.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.946 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 65.49 29.42 11.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.327 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.511 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 65.7 mt -92.87 79.38 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.472 ' HA ' ' HE2' ' B' ' 46' ' ' MET . 2.8 mmt -88.22 1.19 55.02 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.337 -176.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.562 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 71.1 m-20 -58.77 102.83 0.32 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.531 177.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 45.1 Cg_exo -54.22 -56.47 2.52 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.922 2.414 . . . . 0.0 114.279 -165.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.558 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 43.1 mt-30 -72.87 -32.23 65.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.847 0.356 . . . . 0.0 110.57 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.562 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 51.2 m170 -64.67 -41.29 96.18 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.599 ' O ' HD21 ' B' ' 55' ' ' LEU . 39.6 mtp180 -53.77 -56.16 19.99 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.032 172.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.458 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.7 -42.33 62.13 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.242 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.572 ' O ' HG22 ' A' ' 56' ' ' THR . 31.0 mtpt -65.72 -52.67 49.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.714 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.6 mt -53.9 -45.6 71.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.468 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.633 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -63.47 -47.01 83.56 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.965 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 53' ' ' LYS . 46.2 m -61.38 -40.72 95.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.544 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -59.57 -45.9 90.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.979 176.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.5 94.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.254 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.633 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 8.4 mm-40 -58.28 -53.0 63.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 110.193 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 57' ' ' ALA . 8.3 mp -69.76 -38.61 76.83 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.968 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 56.7 mt -63.39 -24.19 67.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.344 0.52 . . . . 0.0 111.371 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.582 HD22 ' NH2' ' A' ' 11' ' ' ARG . 29.8 tp -72.46 -28.61 63.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -110.45 -36.91 5.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.283 -174.858 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.592 ' HD3' ' OD1' ' B' ' 63' ' ' ASP . 13.1 Cg_exo . . . . . 0 N--CA 1.459 -0.528 0 CA-C-O 120.936 0.306 . . . . 0.0 111.88 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -93.01 -18.24 22.92 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.678 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 36.2 p -122.14 166.98 13.72 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.025 -177.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.518 ' O ' HD21 ' A' ' 9' ' ' LEU . 2.0 tm? -59.54 -51.76 68.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.74 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -52.58 -45.9 66.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.784 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.409 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 33.7 mm-40 -67.39 -31.93 72.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 -175.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.466 HD13 ' HB1' ' A' ' 57' ' ' ALA . 2.9 tm? -70.24 -42.76 71.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.385 178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 14' ' ' LEU . 4.2 mm? -61.85 -37.23 83.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.028 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.24 -30.77 68.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.014 0.435 . . . . 0.0 110.891 176.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 8' ' ' LEU . 17.3 tpp180 -64.82 -40.8 95.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.662 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.467 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.9 pt -94.98 -12.66 8.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -176.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.19 28.75 14.08 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.99 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.531 ' O ' HD13 ' A' ' 9' ' ' LEU . 2.8 mm? -123.38 33.13 5.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.657 0.265 . . . . 0.0 110.664 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.425 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.8 pt-20 -58.49 -18.67 30.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.55 176.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 10.9 pt-20 -61.61 -19.99 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.414 174.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.443 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 88.7 m-70 -117.0 6.58 12.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.7 m -55.67 -45.57 77.7 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.178 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.557 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.4 t -63.62 -39.84 95.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.979 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.6 m -56.0 -52.46 64.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.943 0.402 . . . . 0.0 110.557 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.3 mm? -62.5 -50.36 71.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.091 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.5 tp -54.01 -44.84 71.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.519 -176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 19' ' ' SER . 88.0 mt -74.8 -22.44 58.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.578 -177.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -98.81 11.04 39.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.926 0.393 . . . . 0.0 111.646 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.98 -8.91 54.65 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.866 172.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.459 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.2 m-85 -87.2 76.67 9.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.351 0.596 . . . . 0.0 109.684 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -103.79 -11.81 17.33 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.876 -173.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -128.41 166.85 17.91 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.163 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.4 mt -68.36 -26.54 65.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.48 0.657 . . . . 0.0 109.483 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.22 -29.05 68.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.096 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 58.1 m-20 -81.93 -42.74 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.05 175.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -64.72 -27.16 68.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.973 -174.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -70.92 -12.42 61.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.219 0.533 . . . . 0.0 110.68 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -96.89 -0.15 48.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.708 0.766 . . . . 0.0 109.577 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.48 122.74 24.3 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.853 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.47 ' C ' HD11 ' A' ' 55' ' ' LEU . 34.2 mmt180 -120.05 164.79 15.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.702 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.611 ' N ' HD11 ' A' ' 55' ' ' LEU . 30.3 tt0 -67.01 -36.85 83.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.071 0.462 . . . . 0.0 110.354 -175.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -60.06 -26.03 65.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.051 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.773 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 25.3 m170 -76.72 -35.63 57.68 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 HD23 ' HG2' ' A' ' 51' ' ' ARG . 6.1 mp -64.23 -34.82 78.98 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.589 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -55.47 -36.79 66.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.856 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.47 -38.86 48.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.7 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 37.2 mt -76.56 -2.35 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.09 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.6 t30 70.38 19.0 6.56 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.987 0.899 . . . . 0.0 110.473 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.41 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 57.4 mt -88.33 75.71 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 0.8 OUTLIER -87.21 -6.92 58.41 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.475 -176.019 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 10.8 m-20 -57.54 104.95 0.46 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.365 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.71 -51.29 9.38 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 124.08 3.187 . . . . 0.0 114.489 -169.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 48.2 mt-30 -69.09 -36.21 77.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.21 0.529 . . . . 0.0 110.317 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 16.1 m170 -68.69 -37.58 79.67 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.256 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HG2' HD23 ' A' ' 40' ' ' LEU . 50.5 mtp180 -57.86 -55.62 32.53 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.956 170.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.483 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -49.88 -42.6 48.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.466 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.559 ' O ' HG22 ' B' ' 56' ' ' THR . 27.9 mtpt -66.73 -51.22 58.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.896 177.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.3 mt -54.33 -45.51 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.775 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.611 HD11 ' N ' ' A' ' 37' ' ' GLU . 2.0 mm? -68.69 -36.71 78.84 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.701 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.547 HG22 ' O ' ' B' ' 53' ' ' LYS . 48.9 m -65.03 -40.38 94.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.265 0.555 . . . . 0.0 110.008 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -62.43 -46.63 87.68 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.248 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.74 89.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.02 -49.81 76.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.613 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 64' ' ' TYR . 8.9 mp -73.33 -27.69 61.65 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.901 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 61.2 mt -72.02 -27.31 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.672 -0.642 . . . . 0.0 110.031 173.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.52 -37.75 65.54 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.684 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.596 ' OD1' ' HD3' ' B' ' 2' ' ' PRO . 0.6 OUTLIER -101.07 -37.64 8.51 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.421 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 90.1 m-85 . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 121.054 0.454 . . . . 0.0 110.305 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . 0.596 ' HD3' ' OD1' ' A' ' 63' ' ' ASP . 13.0 Cg_exo . . . . . 0 N--CA 1.461 -0.433 0 CA-C-O 120.982 0.326 . . . . 0.0 111.953 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -92.76 -18.16 23.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.785 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.419 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 36.6 p -121.9 167.18 13.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.125 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.498 ' O ' HD21 ' B' ' 9' ' ' LEU . 1.9 tm? -59.64 -51.69 68.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.735 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -52.71 -45.87 67.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.738 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.419 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 34.4 mm-40 -67.35 -31.93 72.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.593 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.453 HD13 ' HB1' ' B' ' 57' ' ' ALA . 2.9 tm? -70.29 -42.81 71.55 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.265 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.53 HD13 ' O ' ' B' ' 14' ' ' LEU . 4.2 mm? -61.89 -37.14 83.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.45 -30.64 68.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' B' ' 8' ' ' LEU . 17.3 tpp180 -64.72 -41.26 96.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.577 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.7 pt -94.36 -13.22 8.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.18 29.41 12.62 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.84 174.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.53 ' O ' HD13 ' B' ' 9' ' ' LEU . 2.8 mm? -123.69 33.13 5.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.783 0.325 . . . . 0.0 110.669 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.425 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.7 pt-20 -58.42 -18.77 30.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.581 176.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.439 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 10.7 pt-20 -61.69 -19.78 62.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.46 174.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.439 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 88.3 m-70 -117.09 6.61 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 10.0 m -55.58 -45.61 77.34 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.156 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.562 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 27.2 t -63.82 -39.7 94.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.964 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.1 m -55.75 -52.64 63.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 0.0 110.62 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.3 mm? -62.57 -50.23 72.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.13 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 27' ' ' GLN . 13.5 tp -54.27 -44.23 71.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.628 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.5 mt -75.07 -23.07 57.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.513 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -98.56 11.35 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.983 0.421 . . . . 0.0 111.485 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.86 -9.01 54.96 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.887 172.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.473 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.1 m-85 -87.1 76.49 9.28 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.381 0.61 . . . . 0.0 109.658 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.412 ' HA ' HD12 ' B' ' 22' ' ' LEU . 60.7 mt-30 -103.66 -11.66 17.52 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.86 -173.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 60.3 p -128.65 167.02 17.79 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.242 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt -68.56 -26.73 65.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.11 -28.98 68.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.156 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.425 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 56.3 m-20 -81.86 -42.79 19.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.918 175.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 42.5 t80 -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.988 -174.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -70.91 -12.53 61.59 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.911 -0.493 . . . . 0.0 110.614 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -96.77 -0.27 48.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.638 0.732 . . . . 0.0 109.584 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' B' ' 32' ' ' PHE . 3.2 tm? -75.4 122.66 24.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.803 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.469 ' C ' HD11 ' B' ' 55' ' ' LEU . 34.5 mmt180 -119.99 164.92 15.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.697 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.615 ' N ' HD11 ' B' ' 55' ' ' LEU . 30.6 tt0 -67.07 -36.87 82.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.145 0.498 . . . . 0.0 110.439 -175.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -60.15 -25.97 65.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.052 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.762 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 25.1 m170 -76.59 -35.86 57.89 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.237 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.414 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 6.1 mp -64.05 -34.88 79.02 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 175.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.55 -36.72 67.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.859 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -77.59 -38.58 47.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.702 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 37.6 mt -76.58 -2.79 34.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.152 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 t30 70.8 18.88 6.07 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.723 0.773 . . . . 0.0 110.38 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.414 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 57.6 mt -88.18 75.97 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' B' ' 46' ' ' MET . 0.8 OUTLIER -87.36 -7.06 58.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.638 -176.117 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 10.4 m-20 -57.37 104.97 0.46 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.41 177.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.77 -51.03 9.9 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 124.053 3.169 . . . . 0.0 114.477 -169.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 48.0 mt-30 -69.35 -36.04 76.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.311 0.577 . . . . 0.0 110.298 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.421 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 16.2 m170 -68.86 -37.44 79.1 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.303 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.413 ' HG2' HD23 ' B' ' 40' ' ' LEU . 50.3 mtp180 -57.93 -55.54 33.65 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.971 170.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.479 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -49.93 -42.55 48.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.508 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 56' ' ' THR . 27.8 mtpt -66.71 -51.33 57.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.945 177.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.9 mt -54.29 -45.48 72.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.862 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.615 HD11 ' N ' ' B' ' 37' ' ' GLU . 2.0 mm? -68.55 -36.72 79.18 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.713 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 53' ' ' LYS . 48.3 m -65.14 -40.44 94.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.344 0.592 . . . . 0.0 110.01 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.562 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -62.38 -46.58 88.0 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.209 176.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.96 89.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -58.74 -49.86 76.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.618 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.488 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.9 mp -73.57 -27.56 61.38 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.872 -178.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 62.0 mt -71.89 -27.4 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.445 0.641 . . . . 0.0 110.056 173.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.51 -37.73 65.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.651 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.592 ' OD1' ' HD3' ' A' ' 2' ' ' PRO . 0.6 OUTLIER -101.19 -37.32 8.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.243 -175.341 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' B' ' 60' ' ' LEU . 90.0 m-85 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 121.028 0.442 . . . . 0.0 110.256 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo . . . . . 0 N--CA 1.461 -0.424 0 CA-C-O 120.915 0.298 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -89.02 -14.16 37.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.183 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.9 p -133.12 170.46 15.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.152 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.6 tm? -60.67 -49.55 77.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.435 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -54.12 -44.52 71.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.214 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -69.07 -30.88 69.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.733 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' HG ' HD13 ' A' ' 61' ' ' LEU . 2.9 tm? -67.22 -42.48 84.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.996 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.4 mm? -62.2 -40.11 94.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.7 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -66.9 -30.11 70.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.534 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' NH2' HD21 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -65.86 -46.29 79.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.423 -179.051 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.498 ' CG2' HG21 ' B' ' 56' ' ' THR . 40.6 pt -90.34 -12.7 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.992 -175.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.72 27.36 14.66 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.687 175.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' HD11 ' A' ' 9' ' ' LEU . 3.2 mm? -118.78 27.87 8.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.106 0.479 . . . . 0.0 110.133 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.6 pt-20 -60.82 -17.3 48.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.709 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.3 pt-20 -62.9 -20.01 64.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.008 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.472 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 83.5 m-70 -119.41 11.34 12.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.94 -175.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 15.1 m -55.06 -45.8 75.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.885 0.374 . . . . 0.0 110.767 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.564 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 28.9 m -62.65 -37.88 88.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.806 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.403 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 43.2 m -57.48 -50.68 72.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.796 0.331 . . . . 0.0 110.486 178.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.3 mm? -61.38 -53.29 58.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.848 176.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.19 -47.93 65.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.001 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 19' ' ' SER . 86.7 mt -71.05 -27.69 63.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.646 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -94.25 13.46 23.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.117 0.484 . . . . 0.0 111.379 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.24 -8.76 45.21 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.03 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 91.7 m-85 -86.17 79.86 8.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.14 0.495 . . . . 0.0 109.965 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -103.76 -19.4 14.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.007 -175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.6 p -124.93 168.56 13.13 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.594 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.73 -26.91 66.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.405 0.622 . . . . 0.0 109.324 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 40.8 mt-10 -69.74 -25.42 63.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.972 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 58.3 m-20 -81.56 -48.58 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.33 -28.35 69.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.906 -174.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.6 ptpt -65.56 -8.77 21.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.199 -0.313 . . . . 0.0 111.536 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -105.69 6.0 31.56 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.194 0.521 . . . . 0.0 110.595 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.37 122.46 20.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.55 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' C ' HD13 ' A' ' 55' ' ' LEU . 19.6 mmt180 -119.8 165.6 14.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.252 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.579 ' N ' HD13 ' A' ' 55' ' ' LEU . 31.9 tt0 -64.33 -39.09 93.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.058 0.456 . . . . 0.0 110.4 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.1 m -56.44 -28.34 59.28 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.393 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.751 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 48.6 m170 -76.75 -34.54 58.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.096 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -63.38 -38.21 90.27 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.575 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 80.7 m-20 -59.19 -35.07 72.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.484 0.659 . . . . 0.0 109.726 175.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.56 -36.1 63.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.837 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 60.6 mt -82.47 -3.64 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.069 -177.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.7 t30 70.15 18.17 7.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.762 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.414 HD12 HD11 ' A' ' 40' ' ' LEU . 62.2 mt -88.87 72.59 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 173.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' A' ' 41' ' ' ASN . 70.1 mmm -83.57 -8.26 59.36 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.604 -172.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 27.7 m-20 -57.44 108.49 1.27 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.554 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 47.2 Cg_exo -56.46 -51.17 9.84 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 124.086 3.191 . . . . 0.0 114.589 -171.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.559 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 50.8 mt-30 -67.7 -36.07 79.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.039 0.447 . . . . 0.0 110.125 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 21.2 m170 -65.5 -43.09 91.21 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.815 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.575 ' O ' HD23 ' A' ' 55' ' ' LEU . 43.5 mtp180 -56.46 -54.24 48.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.053 172.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.442 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -50.0 -42.18 48.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.349 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.585 ' O ' HG23 ' B' ' 56' ' ' THR . 29.9 mtpt -67.84 -51.08 52.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.724 177.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.7 mt -54.63 -43.94 72.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.52 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -64.98 -44.8 88.11 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.321 179.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.589 HG23 ' O ' ' B' ' 53' ' ' LYS . 32.2 m -61.62 -40.99 96.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.013 0.435 . . . . 0.0 110.78 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.468 ' HA ' HD23 ' B' ' 60' ' ' LEU . . . -60.45 -46.74 88.97 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.931 176.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.16 97.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.317 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 23.3 mm-40 -58.55 -54.11 50.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.426 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 57' ' ' ALA . 8.2 mp -65.95 -46.5 77.92 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.683 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.471 HD13 ' HG ' ' A' ' 8' ' ' LEU . 94.5 mt -60.24 -22.41 63.01 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.859 0.361 . . . . 0.0 111.691 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.477 HD21 ' NH2' ' B' ' 11' ' ' ARG . 24.3 tp -70.46 -26.9 63.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -113.41 -38.44 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.019 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.32 -0.709 0 C-N-CA 123.215 0.606 . . . . 0.0 111.263 -174.151 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo . . . . . 0 N--CA 1.461 -0.428 0 CA-C-O 120.937 0.307 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -89.36 -13.74 37.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.3 p -133.58 170.47 15.48 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.064 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.443 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.6 tm? -60.88 -49.39 77.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.545 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.28 -44.52 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.145 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -69.03 -30.96 69.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.661 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.476 ' HG ' HD13 ' B' ' 61' ' ' LEU . 2.9 tm? -67.15 -42.47 84.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.063 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.443 HD23 ' O ' ' B' ' 5' ' ' LEU . 4.4 mm? -62.18 -40.26 95.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.635 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.86 -30.08 70.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 0.0 110.476 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.477 ' NH2' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.73 -46.51 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.423 -179.181 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.495 ' CG2' HG21 ' A' ' 56' ' ' THR . 40.5 pt -89.91 -13.34 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.011 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.23 27.39 13.55 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.651 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.419 ' O ' HD11 ' B' ' 9' ' ' LEU . 3.2 mm? -118.7 27.85 8.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.978 0.418 . . . . 0.0 110.109 177.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.428 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.5 pt-20 -60.77 -17.52 49.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.858 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 11.5 pt-20 -62.72 -20.09 64.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.045 174.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.465 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 82.9 m-70 -119.16 10.95 12.22 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.981 0.364 . . . . 0.0 111.981 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.428 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 14.5 m -54.88 -45.76 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.75 0.309 . . . . 0.0 110.931 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.57 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 23.4 m -63.07 -37.46 87.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.699 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 52.8 m -57.66 -50.76 72.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.811 0.339 . . . . 0.0 110.369 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.3 mm? -61.25 -53.28 58.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.815 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.6 tp -52.45 -47.48 66.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.989 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 19' ' ' SER . 86.9 mt -71.1 -28.28 64.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.577 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -93.83 13.26 23.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.126 0.488 . . . . 0.0 111.364 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.46 -9.11 44.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.176 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.455 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 91.8 m-85 -85.78 79.91 9.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.167 0.508 . . . . 0.0 109.935 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -103.75 -19.73 14.2 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.778 -175.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -124.66 168.08 13.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.649 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -67.29 -26.95 66.79 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.45 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 40.4 mt-10 -69.6 -25.42 63.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.901 176.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.439 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 56.5 m-20 -81.56 -48.66 11.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.26 -28.45 70.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.9 -174.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.45 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.6 ptpt -65.5 -8.54 19.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.112 -0.367 . . . . 0.0 111.597 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.91 5.94 31.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.201 0.525 . . . . 0.0 110.584 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.18 122.33 19.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.65 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.512 ' C ' HD13 ' B' ' 55' ' ' LEU . 19.6 mmt180 -119.56 165.46 14.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.281 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.584 ' N ' HD13 ' B' ' 55' ' ' LEU . 31.9 tt0 -64.29 -39.04 93.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.013 0.435 . . . . 0.0 110.379 -175.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -56.38 -28.58 59.62 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.328 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.757 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 48.4 m170 -76.53 -34.67 58.53 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.087 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.416 HD11 HD12 ' B' ' 45' ' ' ILE . 0.4 OUTLIER -63.27 -38.2 90.21 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 175.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . 0.565 ' HA ' ' SD ' ' B' ' 46' ' ' MET . 81.4 m-20 -59.28 -34.97 72.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.812 175.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -74.54 -36.42 63.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.801 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 60.7 mt -82.08 -3.61 55.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.102 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 65.5 t30 70.32 17.75 6.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.793 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.416 HD12 HD11 ' B' ' 40' ' ' LEU . 62.1 mt -88.51 72.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 174.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.565 ' SD ' ' HA ' ' B' ' 41' ' ' ASN . 69.6 mmm -83.89 -8.02 59.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.613 -172.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 28.9 m-20 -57.5 108.32 1.22 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.52 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.55 -50.92 10.39 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 124.206 3.271 . . . . 0.0 114.557 -171.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.574 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 50.4 mt-30 -67.84 -36.26 80.03 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 20.9 m170 -65.49 -43.07 91.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.78 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.556 ' O ' HD23 ' B' ' 55' ' ' LEU . 43.7 mtp180 -56.43 -54.3 47.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.08 172.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.446 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -49.86 -42.28 47.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.279 -178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.589 ' O ' HG23 ' A' ' 56' ' ' THR . 29.7 mtpt -67.67 -51.4 50.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.771 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 80.3 mt -54.49 -43.82 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.6 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.584 HD13 ' N ' ' B' ' 37' ' ' GLU . 0.3 OUTLIER -65.07 -44.6 88.42 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.38 179.524 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 53' ' ' LYS . 32.0 m -61.65 -41.04 96.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.049 0.452 . . . . 0.0 110.762 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.463 ' HA ' HD23 ' A' ' 60' ' ' LEU . . . -60.61 -46.72 89.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.86 176.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.01 97.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.216 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 21.3 mm-40 -58.72 -54.17 50.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.393 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 57' ' ' ALA . 8.2 mp -65.89 -46.54 77.99 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.664 -178.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.476 HD13 ' HG ' ' B' ' 8' ' ' LEU . 94.4 mt -60.13 -22.47 62.87 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.872 0.367 . . . . 0.0 111.812 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.444 HD21 ' NH2' ' A' ' 11' ' ' ARG . 24.3 tp -70.31 -27.34 64.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.379 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -112.93 -38.61 4.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.029 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.347 -174.109 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.499 ' HD3' ' OD2' ' B' ' 63' ' ' ASP . 23.8 Cg_exo . . . . . 0 N--CA 1.463 -0.311 0 CA-C-O 120.915 0.298 . . . . 0.0 111.82 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -86.64 -19.18 29.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.226 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.55 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 77.4 p -125.15 165.61 17.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.016 -176.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.6 tm? -57.72 -47.87 81.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.444 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -54.01 -48.17 70.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.333 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.55 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 24.0 mm-40 -67.06 -33.0 74.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.455 HD12 ' HB2' ' A' ' 57' ' ' ALA . 3.0 tm? -66.11 -46.61 76.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.422 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.3 mm? -61.93 -42.18 98.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.24 -30.95 71.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.784 0.326 . . . . 0.0 110.688 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HD3' ' HB3' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -64.31 -52.57 57.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.724 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.458 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.8 pt -81.51 -13.89 12.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.974 -175.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.19 24.28 17.19 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.744 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.9 mm? -117.03 31.48 6.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.905 0.383 . . . . 0.0 110.412 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.4 pt-20 -59.64 -18.41 41.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.927 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.92 -22.2 66.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.981 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.83 10.86 15.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.637 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.479 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.4 m -57.66 -45.63 85.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.051 0.453 . . . . 0.0 110.349 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.552 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 32.2 t -63.11 -36.32 83.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.904 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.3 m -58.82 -52.58 65.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.901 0.381 . . . . 0.0 110.117 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.9 mm? -60.19 -53.12 61.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.119 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 27' ' ' GLN . 20.2 tp -52.29 -49.19 64.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.689 -176.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 19' ' ' SER . 82.3 mt -73.23 -21.04 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.575 -176.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -96.34 12.17 32.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.962 0.411 . . . . 0.0 111.174 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.54 -8.36 51.64 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.938 172.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.446 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 95.2 m-85 -88.18 81.21 7.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.361 0.6 . . . . 0.0 109.699 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.408 ' HA ' HD12 ' A' ' 22' ' ' LEU . 37.2 mt-30 -104.1 -15.99 15.39 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.617 -172.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -129.53 170.75 13.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.706 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.33 -29.05 69.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.325 0.583 . . . . 0.0 109.638 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.4 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 46.1 mt-10 -65.5 -30.32 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.412 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.437 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 50.3 m-20 -81.66 -44.3 17.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.04 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -65.48 -28.59 69.31 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.94 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 19.4 ptpt -68.89 -7.79 38.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.105 0.478 . . . . 0.0 110.895 177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -103.86 2.38 32.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.652 0.739 . . . . 0.0 109.442 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -75.19 125.48 29.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.868 -178.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -130.04 169.45 15.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.632 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.72 -40.87 96.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.063 0.459 . . . . 0.0 110.17 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.7 m -57.15 -32.6 66.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.319 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.502 ' O ' HD13 ' A' ' 43' ' ' LEU . 66.6 m170 -76.58 -40.51 49.44 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.83 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.422 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -59.58 -34.4 72.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.095 175.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -62.09 -36.73 82.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.108 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.14 -36.17 64.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.525 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 39' ' ' HIS . 11.2 mp -77.36 -4.54 45.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.02 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t30 67.29 29.5 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.619 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.9 mt -90.88 79.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.477 ' HE3' ' HA ' ' A' ' 46' ' ' MET . 20.4 mmt -78.4 -11.7 59.96 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.489 -176.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 64.0 m-20 -55.33 105.16 0.49 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.538 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.97 -50.99 4.2 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.274 2.649 . . . . 0.0 113.847 -171.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.513 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 53.8 mt-30 -68.32 -36.13 78.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.994 0.426 . . . . 0.0 110.166 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.523 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 41.6 m170 -66.2 -42.13 89.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.718 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.583 ' O ' HD21 ' A' ' 55' ' ' LEU . 41.9 mtp180 -53.29 -53.51 49.86 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.052 171.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.486 ' HB2' ' CG ' ' B' ' 53' ' ' LYS . . . -53.38 -44.49 68.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.243 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' O ' HG22 ' B' ' 56' ' ' THR . 29.7 mtpt -64.79 -51.66 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.894 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 85.0 mt -55.39 -45.25 76.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.422 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.583 HD21 ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -63.15 -42.35 99.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.873 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.571 HG22 ' O ' ' B' ' 53' ' ' LYS . 30.2 m -64.3 -41.16 96.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.237 0.542 . . . . 0.0 110.818 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.598 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -62.09 -43.53 98.64 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.831 177.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.6 90.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.5 mm-40 -57.68 -52.97 63.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.157 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 64' ' ' TYR . 8.9 mp -74.09 -21.95 59.7 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.133 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 41.4 mt -74.03 -29.51 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.035 172.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.8 tp -72.05 -41.71 67.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.325 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.512 ' OD2' ' HD3' ' B' ' 2' ' ' PRO . 1.1 m-20 -89.74 -45.96 8.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.312 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.495 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 90.6 m-85 . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 120.961 0.41 . . . . 0.0 110.743 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . 0.512 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 23.9 Cg_exo . . . . . 0 CA--C 1.52 -0.221 0 CA-C-O 120.85 0.271 . . . . 0.0 111.756 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -86.93 -18.61 30.38 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.298 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.57 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 72.3 p -125.59 165.88 17.72 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.921 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.453 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.6 tm? -58.21 -48.09 81.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.352 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -53.71 -48.13 69.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.421 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.57 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.2 mm-40 -67.2 -32.92 74.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.435 -176.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' B' ' 57' ' ' ALA . 3.0 tm? -66.15 -46.55 77.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.358 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.453 HD23 ' O ' ' B' ' 5' ' ' LEU . 4.3 mm? -62.07 -41.91 98.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.01 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.56 -30.59 71.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.707 0.289 . . . . 0.0 110.867 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.474 ' HD3' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -64.35 -52.99 55.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.747 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 56' ' ' THR . 42.0 pt -81.42 -13.74 12.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.899 -175.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.82 22.91 19.51 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.022 174.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.453 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -116.27 31.9 6.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.848 0.356 . . . . 0.0 110.369 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.486 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.5 pt-20 -59.82 -18.54 44.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.994 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.14 -21.23 66.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.989 175.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -116.6 10.79 14.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.605 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.486 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 9.1 m -57.73 -45.37 85.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.024 0.44 . . . . 0.0 110.444 178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.543 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 33.0 t -63.35 -36.59 84.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.848 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.6 m -58.51 -52.49 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.139 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.449 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.9 mm? -60.36 -53.16 61.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.119 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.3 tp -52.25 -49.11 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.818 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 19' ' ' SER . 82.2 mt -73.18 -21.12 60.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.587 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -96.23 11.89 32.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.991 0.424 . . . . 0.0 111.196 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -8.16 51.13 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.862 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.449 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 95.5 m-85 -88.36 81.05 7.33 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.422 0.629 . . . . 0.0 109.695 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -104.03 -15.62 15.54 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.699 -172.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.2 p -129.64 170.98 13.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.712 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.57 -29.23 69.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.34 0.59 . . . . 0.0 109.486 174.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.2 -30.56 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.415 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.444 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 49.2 m-20 -81.46 -44.31 17.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.194 0.521 . . . . 0.0 109.877 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -65.66 -28.46 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.934 -174.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -69.02 -7.57 36.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.086 0.469 . . . . 0.0 110.902 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -104.05 2.3 31.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.721 0.772 . . . . 0.0 109.411 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -75.07 125.52 29.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.851 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -129.98 169.36 15.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.56 -177.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.63 -41.08 96.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.003 0.43 . . . . 0.0 110.197 -178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.5 m -57.06 -32.57 66.36 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.241 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.507 ' O ' HD13 ' B' ' 43' ' ' LEU . 66.5 m170 -76.57 -40.19 50.4 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.894 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.428 ' HA ' HD11 ' B' ' 40' ' ' LEU . 0.1 OUTLIER -59.79 -34.26 72.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.964 175.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.08 -37.11 83.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.115 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -73.99 -35.58 64.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.535 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.507 HD13 ' O ' ' B' ' 39' ' ' HIS . 11.2 mp -78.08 -4.07 45.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.005 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 66.68 29.76 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.673 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 56.0 mt -90.99 79.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.487 ' HA ' ' HE3' ' B' ' 46' ' ' MET . 19.9 mmt -78.33 -11.88 59.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.387 -176.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.526 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 65.0 m-20 -55.1 105.06 0.47 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.627 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.08 -50.85 4.32 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.407 2.738 . . . . 0.0 113.794 -171.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.515 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.1 mt-30 -68.84 -35.83 77.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.928 0.394 . . . . 0.0 110.128 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.526 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 40.8 m170 -66.28 -42.09 88.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.749 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.58 ' O ' HD21 ' B' ' 55' ' ' LEU . 41.7 mtp180 -53.32 -53.59 48.7 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.978 171.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.479 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . . . -53.26 -44.49 68.24 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.287 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.571 ' O ' HG22 ' A' ' 56' ' ' THR . 29.9 mtpt -64.92 -51.58 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.797 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 84.9 mt -55.49 -45.17 77.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.348 -178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.593 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -63.2 -42.27 99.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.895 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 53' ' ' LYS . 29.9 m -64.35 -41.14 96.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.167 0.508 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.59 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -62.12 -43.46 98.78 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.863 177.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.52 91.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.715 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.5 mm-40 -57.77 -53.01 63.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.063 178.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.508 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.9 mp -74.17 -21.81 59.68 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.147 -176.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 41.4 mt -73.96 -29.67 62.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.34 0.591 . . . . 0.0 110.124 172.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.05 -41.45 67.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.342 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.499 ' OD2' ' HD3' ' A' ' 2' ' ' PRO . 1.1 m-20 -89.7 -46.46 8.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.351 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' B' ' 60' ' ' LEU . 90.5 m-85 . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.039 0.447 . . . . 0.0 110.801 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo . . . . . 0 N--CA 1.464 -0.244 0 CA-C-O 121.008 0.337 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -92.6 -17.86 23.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.646 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.484 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 45.1 p -126.41 169.39 13.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.81 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 32' ' ' PHE . 2.6 tm? -62.81 -46.47 87.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.977 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.41 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 58.2 t-80 -51.59 -46.84 63.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.165 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.484 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 27.1 mm-40 -69.58 -32.41 71.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.711 -176.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.422 HD12 ' HB1' ' A' ' 57' ' ' ALA . 2.9 tm? -70.0 -43.8 70.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 14' ' ' LEU . 3.7 mm? -62.06 -41.94 98.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 42.2 mt-10 -66.71 -31.44 72.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.868 0.366 . . . . 0.0 110.427 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.437 ' NH2' HD22 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -64.77 -46.21 83.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.183 -178.291 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.424 ' CG2' HG22 ' B' ' 56' ' ' THR . 41.4 pt -87.67 -14.52 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.526 -177.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.52 30.8 8.78 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.998 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 9' ' ' LEU . 2.8 mm? -121.8 33.88 5.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.943 0.402 . . . . 0.0 110.24 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.2 pt-20 -61.41 -15.84 40.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.798 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.27 -16.97 63.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.922 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -119.09 5.94 11.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.976 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.48 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 15.3 m -55.29 -46.88 76.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.898 0.38 . . . . 0.0 110.424 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.59 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 33.5 t -61.98 -39.3 91.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.915 176.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -56.55 -51.98 66.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.27 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.4 mm? -59.8 -52.12 66.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.197 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.98 -45.19 71.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.174 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 19' ' ' SER . 87.4 mt -68.37 -30.35 69.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.973 0.416 . . . . 0.0 111.081 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.411 ' ND2' ' HG ' ' A' ' 43' ' ' LEU . 28.7 m-80 -91.25 4.92 51.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.369 -177.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.8 -4.67 42.54 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.002 172.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.457 ' HA ' ' CB ' ' A' ' 31' ' ' ASP . 96.2 m-85 -89.47 82.49 6.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.104 0.478 . . . . 0.0 109.865 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -109.21 -11.74 14.87 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.711 -174.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -128.81 167.69 16.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.546 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.6 mt -65.68 -27.98 68.75 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.623 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 31.9 mt-10 -70.31 -27.17 64.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.636 178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 54.5 m-20 -80.37 -47.48 14.38 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CD2' HD23 ' A' ' 5' ' ' LEU . 41.9 t80 -65.54 -28.99 69.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.061 -173.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.6 ptpt -66.36 -9.1 30.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 0.0 111.059 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -104.72 2.61 30.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.317 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -72.44 124.69 25.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.868 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.468 ' C ' HD12 ' A' ' 55' ' ' LEU . 21.3 mmt180 -121.16 166.94 13.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.529 ' N ' HD12 ' A' ' 55' ' ' LEU . 39.6 tt0 -63.51 -42.26 98.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.945 0.402 . . . . 0.0 110.575 -177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 m -60.4 -23.62 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.428 ' O ' HD11 ' A' ' 43' ' ' LEU . 39.1 m170 -76.38 -40.73 50.23 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.6 -33.86 72.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.821 175.599 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -56.67 -40.07 74.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.159 0.504 . . . . 0.0 110.073 171.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.42 -33.08 58.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.975 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 39' ' ' HIS . 11.0 mp -81.0 -0.75 40.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.149 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 64.83 30.85 12.0 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.896 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.419 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 60.5 mt -97.3 83.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.194 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.495 ' HE1' ' HA ' ' A' ' 46' ' ' MET . 3.9 mmt -93.16 -9.8 38.11 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.624 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 30.9 m-20 -61.18 110.18 2.8 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.219 177.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 34.7 Cg_exo -57.41 -47.0 23.97 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.88 3.053 . . . . 0.0 114.108 -171.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.611 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.5 mt-30 -68.49 -38.17 80.76 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.07 0.462 . . . . 0.0 110.04 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.453 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 13.9 m170 -66.87 -40.72 87.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.517 ' O ' HD22 ' A' ' 55' ' ' LEU . 44.2 mtp180 -56.65 -56.78 17.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.103 170.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB2' ' CG ' ' B' ' 53' ' ' LYS . . . -50.45 -43.71 55.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.439 -176.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 34.7 mtpt -66.21 -50.1 65.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.71 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 95.4 mt -55.88 -46.95 78.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.528 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.651 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -63.32 -45.04 93.15 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.175 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.584 HG21 ' O ' ' B' ' 53' ' ' LYS . 34.8 m -62.71 -39.44 94.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.059 0.457 . . . . 0.0 110.787 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.518 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -60.83 -45.06 95.95 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.912 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.78 96.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 8.0 mm-40 -57.66 -53.84 53.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.377 0.608 . . . . 0.0 110.273 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' B' ' 57' ' ' ALA . 9.5 mp -72.4 -31.66 65.73 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.784 -0.643 . . . . 0.0 112.347 -176.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 44.4 mt -67.53 -25.37 65.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.499 0.591 . . . . 0.0 110.757 176.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.464 HD22 ' NH2' ' B' ' 11' ' ' ARG . 33.1 tp -74.8 -32.66 62.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.748 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -103.52 -41.14 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.183 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.497 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 97.2 m-85 . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.991 0.33 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -92.53 -17.96 23.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.591 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.491 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 45.8 p -126.33 169.42 12.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.722 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.48 HD23 ' CD2' ' B' ' 32' ' ' PHE . 2.6 tm? -63.06 -46.15 88.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.008 -178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.4 ' HA ' ' CG2' ' B' ' 18' ' ' THR . 58.2 t-80 -51.79 -46.82 64.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.1 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.491 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.3 mm-40 -69.7 -32.41 70.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.742 -176.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.83 -43.81 71.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.364 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.509 HD11 ' O ' ' B' ' 14' ' ' LEU . 3.7 mm? -62.15 -41.78 98.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.83 -31.59 72.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.925 0.393 . . . . 0.0 110.379 176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.464 ' NH2' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.82 -45.7 85.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.345 -178.387 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.423 ' CG2' HG22 ' A' ' 56' ' ' THR . 40.9 pt -87.98 -14.69 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.646 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.78 30.54 8.89 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.062 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.509 ' O ' HD11 ' B' ' 9' ' ' LEU . 2.8 mm? -121.58 33.77 5.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.888 0.375 . . . . 0.0 110.244 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.461 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 12.2 pt-20 -61.31 -16.14 42.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.857 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.89 -17.17 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.972 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -119.02 6.03 11.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.969 -176.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.461 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 16.2 m -55.44 -46.61 76.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.401 . . . . 0.0 110.483 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 32.8 t -62.0 -39.48 92.37 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.92 176.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -56.24 -52.14 65.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.931 0.396 . . . . 0.0 110.346 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.4 mm? -59.72 -52.13 66.82 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.162 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.99 -45.04 71.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.129 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 19' ' ' SER . 87.6 mt -68.68 -30.23 68.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.408 . . . . 0.0 111.037 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.41 ' ND2' ' HG ' ' B' ' 43' ' ' LEU . 27.7 m-80 -91.32 5.11 50.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.434 -177.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.84 -4.8 42.45 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.947 172.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.467 ' HA ' ' CB ' ' B' ' 31' ' ' ASP . 96.0 m-85 -89.67 82.62 6.29 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.192 0.52 . . . . 0.0 109.971 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -109.46 -11.89 14.77 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.763 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 66.7 p -128.5 167.95 16.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.497 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.9 -27.69 68.39 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.587 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.421 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 32.5 mt-10 -70.78 -26.71 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.702 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.467 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 53.2 m-20 -80.58 -47.64 13.88 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.48 ' CD2' HD23 ' B' ' 5' ' ' LEU . 41.7 t80 -65.46 -28.95 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.05 -173.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.6 ptpt -66.45 -9.11 30.85 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.877 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -104.63 2.46 30.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.338 0.59 . . . . 0.0 110.374 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.447 HD13 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -72.23 124.69 25.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.858 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.464 ' C ' HD12 ' B' ' 55' ' ' LEU . 21.9 mmt180 -121.14 167.03 13.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.531 ' N ' HD12 ' B' ' 55' ' ' LEU . 39.4 tt0 -63.63 -42.14 98.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.885 0.374 . . . . 0.0 110.631 -177.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 39.3 m -60.53 -23.5 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.398 0.618 . . . . 0.0 110.347 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.422 ' O ' HD11 ' B' ' 43' ' ' LEU . 39.8 m170 -76.47 -40.57 49.99 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.447 ' CD1' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -59.63 -34.09 72.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.784 175.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -56.27 -40.56 74.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.328 0.585 . . . . 0.0 110.028 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.2 -33.2 59.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.865 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.422 HD11 ' O ' ' B' ' 39' ' ' HIS . 10.9 mp -80.68 -1.0 40.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.111 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 64.84 31.15 11.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.676 0.75 . . . . 0.0 110.783 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.417 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 60.9 mt -97.35 83.6 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.169 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.5 ' HE1' ' HA ' ' B' ' 46' ' ' MET . 3.8 mmt -93.29 -9.44 39.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.51 -172.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 32.9 m-20 -61.3 110.35 2.98 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 123.354 0.408 . . . . 0.0 110.105 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 32.4 Cg_exo -57.72 -47.16 22.4 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.729 2.952 . . . . 0.0 114.126 -171.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.622 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.3 mt-30 -68.04 -38.28 82.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.456 ' O ' ' HG ' ' B' ' 54' ' ' LEU . 13.8 m170 -66.91 -40.68 87.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.103 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.503 ' O ' HD22 ' B' ' 55' ' ' LEU . 44.0 mtp180 -56.56 -56.75 17.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.181 170.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.497 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . . . -50.5 -43.6 55.76 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.488 -176.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 34.8 mtpt -66.26 -50.14 64.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.729 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 95.1 mt -55.8 -46.98 77.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.512 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.645 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.3 OUTLIER -63.26 -45.05 93.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.253 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.583 HG21 ' O ' ' A' ' 53' ' ' LYS . 35.8 m -62.77 -39.46 94.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.02 0.438 . . . . 0.0 110.732 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -60.85 -45.05 96.02 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.939 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.91 96.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.645 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 7.8 mm-40 -57.49 -54.0 51.84 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.359 178.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 57' ' ' ALA . 9.5 mp -72.33 -31.76 65.94 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.282 -176.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 44.7 mt -67.49 -25.23 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.465 0.575 . . . . 0.0 110.797 176.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.437 HD22 ' NH2' ' A' ' 11' ' ' ARG . 33.4 tp -75.06 -32.46 61.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.791 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -103.62 -41.13 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.153 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . 0.497 ' HB3' ' O ' ' A' ' 64' ' ' TYR . 97.2 m-85 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo . . . . . 0 CA--C 1.519 -0.272 0 CA-C-O 120.961 0.317 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -99.09 -22.29 15.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.751 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.2 p -127.26 174.59 8.82 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.708 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.546 ' O ' HD22 ' A' ' 9' ' ' LEU . 2.7 tm? -59.91 -53.2 60.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.444 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -54.23 -42.35 69.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.217 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -62.18 -41.92 98.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.451 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.7 tm? -67.46 -43.33 81.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.214 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 5' ' ' LEU . 4.1 mm? -60.85 -42.52 97.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.66 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.16 -35.36 80.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.698 0.285 . . . . 0.0 110.676 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -46.16 90.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.423 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' B' ' 56' ' ' THR . 36.7 pt -90.38 -13.19 9.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.849 -176.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.03 26.05 15.49 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.906 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.514 ' O ' HD11 ' A' ' 9' ' ' LEU . 2.7 mm? -117.84 29.78 7.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.997 0.427 . . . . 0.0 110.064 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -22.32 60.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.164 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.55 -22.09 30.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.519 172.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -115.98 10.82 15.24 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -55.34 -50.85 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.012 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.47 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.6 t -64.05 -32.67 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.978 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.3 m -60.33 -53.94 51.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.086 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 3.0 mm? -58.33 -51.81 68.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.722 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.49 -48.14 62.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.919 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.2 mt -74.69 -26.35 59.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.667 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.477 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 24.3 m-80 -90.23 7.16 39.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.901 0.382 . . . . 0.0 111.557 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.94 1.26 42.18 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.759 172.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' HA ' ' CB ' ' A' ' 31' ' ' ASP . 96.0 m-85 -99.52 82.82 2.7 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.253 0.549 . . . . 0.0 109.789 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -106.79 -16.73 14.41 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.714 -172.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -127.98 168.09 15.76 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.458 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.83 -29.24 70.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.343 0.592 . . . . 0.0 109.556 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.31 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.459 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.442 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 57.7 m-20 -82.78 -45.0 14.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.002 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -62.86 -29.6 70.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.872 -173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.62 -4.95 21.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.113 0.482 . . . . 0.0 111.05 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -103.41 -1.19 28.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.924 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -72.29 129.48 38.52 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.106 -177.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -130.01 166.39 20.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.247 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.77 -43.44 98.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 110.667 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.4 m -58.93 -29.06 66.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.315 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.44 ' O ' HD11 ' A' ' 43' ' ' LEU . 28.4 m170 -75.9 -39.77 55.66 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.175 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' CD1' HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -57.98 -34.62 70.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 176.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -57.99 -43.48 86.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.247 0.546 . . . . 0.0 109.915 172.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.83 -34.03 68.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.017 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' HG ' ' CG ' ' A' ' 24' ' ' ASN . 11.0 mp -78.48 -0.51 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.175 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 t30 66.36 26.06 10.27 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.808 0.813 . . . . 0.0 110.732 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.42 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 57.5 mt -91.02 87.7 2.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.2 mmt -87.71 -11.08 49.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.053 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 25.6 m-20 -58.87 102.92 0.32 Allowed Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.662 0.601 . . . . 0.0 110.412 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 32.2 Cg_exo -58.77 -51.35 7.2 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.858 3.038 . . . . 0.0 114.055 -169.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.603 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.0 mt-30 -69.26 -36.02 76.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.179 0.514 . . . . 0.0 110.08 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.5 m170 -68.92 -37.96 79.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.888 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.643 ' O ' HD22 ' A' ' 55' ' ' LEU . 39.7 mtp85 -57.43 -53.42 58.32 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.029 171.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.521 ' HB2' ' CG ' ' B' ' 53' ' ' LYS . . . -53.02 -41.23 64.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.324 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 38.6 mtpt -64.76 -50.66 65.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.812 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 89.4 mt -54.05 -45.45 71.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.571 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.64 -44.75 95.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.816 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.589 HG22 ' O ' ' B' ' 53' ' ' LYS . 31.0 m -60.25 -42.27 94.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.304 0.573 . . . . 0.0 110.987 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.514 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -61.94 -45.41 93.79 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.255 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.64 89.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.5 mm-40 -57.6 -53.05 62.52 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.93 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' B' ' 57' ' ' ALA . 8.0 mp -70.62 -33.85 71.46 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.015 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 71.3 mt -67.85 -26.05 65.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.051 0.453 . . . . 0.0 110.775 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.454 HD23 ' NH2' ' B' ' 11' ' ' ARG . 34.6 tp -72.35 -32.9 66.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.584 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -99.93 -53.6 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.809 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.337 -174.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 N--CA 1.463 -0.275 0 CA-C-O 121.047 0.353 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -98.5 -22.54 15.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.795 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -127.21 174.49 8.89 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.705 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.544 ' O ' HD22 ' B' ' 9' ' ' LEU . 2.7 tm? -59.68 -53.1 61.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.45 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.403 ' CD2' HG22 ' B' ' 18' ' ' THR . 11.6 t-160 -54.35 -42.52 70.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.193 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.92 -42.04 98.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.665 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.435 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.6 tm? -67.4 -43.37 81.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.377 -178.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.544 HD22 ' O ' ' B' ' 5' ' ' LEU . 4.1 mm? -60.69 -42.53 97.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.761 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.2 -35.5 81.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.765 0.316 . . . . 0.0 110.717 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.454 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -60.13 -46.25 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.489 -178.386 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 56' ' ' THR . 36.8 pt -90.39 -13.57 9.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.777 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.31 26.14 14.64 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.922 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.512 ' O ' HD11 ' B' ' 9' ' ' LEU . 2.7 mm? -117.79 29.78 7.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.009 0.433 . . . . 0.0 110.154 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -22.42 60.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.11 176.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.74 -21.22 26.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.569 173.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -116.74 10.97 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.719 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.403 HG22 ' CD2' ' B' ' 6' ' ' HIS . 32.0 m -55.45 -50.95 68.5 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.027 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 25.0 t -64.09 -32.82 74.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.182 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 17.7 m -59.99 -53.9 52.37 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.153 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 3.0 mm? -58.3 -51.75 68.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.743 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.0 tp -51.56 -48.1 63.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.905 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 19' ' ' SER . 90.9 mt -74.74 -26.5 59.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.591 -176.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.466 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 22.6 m-80 -89.91 6.69 40.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.89 0.376 . . . . 0.0 111.439 -177.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.96 1.51 42.15 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.866 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.455 ' HA ' ' CB ' ' B' ' 31' ' ' ASP . 96.2 m-85 -99.68 83.02 2.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.333 0.587 . . . . 0.0 109.727 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -106.9 -16.65 14.41 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.714 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 58.6 p -127.99 168.35 15.41 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.303 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.07 -29.19 70.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 109.446 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.33 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.487 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.455 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 54.9 m-20 -82.57 -45.1 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.011 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -63.17 -29.6 70.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.872 -173.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.35 -5.24 22.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.185 0.517 . . . . 0.0 111.031 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -103.17 -1.05 29.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.283 0.563 . . . . 0.0 110.03 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.422 HD13 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -72.3 129.52 38.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.115 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -130.06 166.25 20.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.114 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.81 -43.3 98.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.233 0.539 . . . . 0.0 110.658 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 63.1 m -59.12 -28.84 66.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.379 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.435 ' O ' HD11 ' B' ' 43' ' ' LEU . 28.0 m170 -76.17 -39.66 54.37 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.156 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' B' ' 40' ' ' LEU . 0.1 OUTLIER -58.08 -34.46 70.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.275 176.445 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -58.07 -43.42 86.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.168 0.509 . . . . 0.0 109.891 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.99 -33.87 68.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.932 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.466 ' HG ' ' CG ' ' B' ' 24' ' ' ASN . 10.9 mp -78.63 -0.07 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.079 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.17 25.54 10.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.788 0.804 . . . . 0.0 110.802 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.423 ' O ' ' HD2' ' B' ' 51' ' ' ARG . 56.5 mt -90.62 87.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.325 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 32.6 mmt -87.51 -11.72 48.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.066 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 23.5 m-20 -58.24 102.89 0.32 Allowed Pre-proline 0 N--CA 1.465 0.282 0 O-C-N 123.732 0.645 . . . . 0.0 110.429 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 34.0 Cg_exo -58.9 -51.13 7.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.87 3.046 . . . . 0.0 114.082 -169.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.623 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 53.5 mt-30 -69.44 -36.13 76.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.227 0.537 . . . . 0.0 110.061 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.432 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 26.0 m170 -68.72 -38.11 79.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.989 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.638 ' O ' HD22 ' B' ' 55' ' ' LEU . 40.5 mtp85 -57.39 -53.37 58.96 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.012 171.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.518 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . . . -53.18 -41.07 64.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.255 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 38.4 mtpt -64.79 -50.83 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 89.2 mt -53.99 -45.23 71.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.583 -179.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.638 HD22 ' O ' ' B' ' 51' ' ' ARG . 0.1 OUTLIER -62.98 -44.59 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.764 179.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 53' ' ' LYS . 30.9 m -60.27 -42.36 95.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.874 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.517 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -61.96 -45.36 93.98 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.316 178.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.29 89.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.6 mm-40 -57.89 -52.9 63.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.92 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 57' ' ' ALA . 7.9 mp -70.69 -33.84 71.33 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.064 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 71.9 mt -67.72 -26.02 65.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.127 0.489 . . . . 0.0 110.833 177.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -72.24 -33.22 67.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.552 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -100.07 -52.75 3.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.924 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.34 -174.285 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.448 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 30.1 Cg_exo . . . . . 0 N--CA 1.461 -0.397 0 CA-C-O 121.084 0.368 . . . . 0.0 112.228 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -98.94 -14.59 19.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.154 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.9 p -124.63 170.3 11.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.479 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.536 ' O ' HD21 ' A' ' 9' ' ' LEU . 2.2 tm? -63.48 -49.04 75.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.337 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -58.06 -42.25 85.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.058 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.44 -40.54 87.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.55 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 57' ' ' ALA . 2.7 tm? -68.93 -42.7 76.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.339 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.536 HD21 ' O ' ' A' ' 5' ' ' LEU . 3.6 mm? -61.9 -41.46 97.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -68.57 -29.41 67.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 110.553 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' NH2' HD21 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -64.74 -39.85 94.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.453 -178.493 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.44 ' CG2' HG22 ' B' ' 56' ' ' THR . 41.9 pt -97.38 -11.25 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.898 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.74 32.18 9.45 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.837 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' O ' HD11 ' A' ' 9' ' ' LEU . 3.4 mm? -122.23 27.67 7.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.666 0.269 . . . . 0.0 110.688 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.67 -20.33 32.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.15 -20.78 60.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.248 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -116.08 8.99 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -54.62 -47.11 73.82 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.176 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.547 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 40.2 t -63.54 -40.02 95.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.098 177.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 m -54.59 -49.26 70.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.185 0.517 . . . . 0.0 110.444 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.4 mm? -63.32 -53.41 53.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.341 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -53.77 -43.33 69.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.222 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 19' ' ' SER . 93.2 mt -63.23 -35.21 79.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.003 0.43 . . . . 0.0 111.35 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -96.72 11.63 34.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.615 -174.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.59 -3.2 49.67 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.254 170.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 93.9 m-85 -88.82 76.45 7.97 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.051 0.453 . . . . 0.0 109.908 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -105.47 -12.09 16.14 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.826 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.2 p -127.04 165.18 19.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.375 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.24 -26.67 67.47 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.18 -31.67 72.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.426 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.449 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 62.6 m-20 -82.11 -41.49 20.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.138 0.494 . . . . 0.0 109.873 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.449 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 35.9 t80 -66.24 -27.98 68.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.571 -175.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -72.73 -4.6 32.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.18 0.514 . . . . 0.0 110.614 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -105.5 0.31 26.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 109.388 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.474 HD11 HD12 ' A' ' 40' ' ' LEU . 2.3 tm? -75.06 121.04 21.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.611 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.469 ' C ' HD11 ' A' ' 55' ' ' LEU . 36.4 mmt180 -126.18 162.5 25.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.901 -174.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.569 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.7 tt0 -58.73 -39.96 82.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.054 0.454 . . . . 0.0 110.785 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.3 m -58.51 -30.68 67.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.233 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.649 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 56.8 m170 -77.89 -29.73 50.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.017 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.511 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 8.7 mp -66.81 -32.48 73.78 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.709 0.29 . . . . 0.0 110.419 175.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -60.61 -36.72 79.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.294 0.569 . . . . 0.0 109.612 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.77 -37.25 65.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.274 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 53.0 mt -75.95 -8.78 57.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.232 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.89 23.15 6.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.375 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -86.54 84.88 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.681 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 24.0 mmt -90.06 -12.38 38.66 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.403 -173.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 3.1 m-20 -59.84 110.0 2.44 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-O 120.958 0.409 . . . . 0.0 110.29 177.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 31.7 Cg_exo -58.15 -51.85 6.91 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.919 3.079 . . . . 0.0 114.487 -170.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 35.3 mt-30 -65.63 -39.25 91.27 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.126 0.489 . . . . 0.0 110.089 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -64.62 -38.77 92.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.726 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 53.4 mtp180 -57.07 -57.25 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.184 171.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.516 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.55 -42.76 62.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.515 -176.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.593 ' O ' HG21 ' B' ' 56' ' ' THR . 33.0 mtpt -66.46 -50.62 62.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.911 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.9 mt -54.83 -45.93 74.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.523 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.599 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -65.87 -43.12 89.29 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.442 -179.684 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.558 HG21 ' O ' ' B' ' 53' ' ' LYS . 35.5 m -61.3 -40.55 94.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.18 0.514 . . . . 0.0 110.68 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -61.81 -45.29 94.5 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.255 176.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -41.41 92.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.6 mm-40 -57.56 -54.38 47.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.736 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' B' ' 57' ' ' ALA . 9.8 mp -69.43 -35.36 75.63 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.912 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 52.9 mt -64.78 -24.51 67.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.171 0.442 . . . . 0.0 111.346 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.504 HD21 ' NH2' ' B' ' 11' ' ' ARG . 37.1 tp -73.76 -34.61 64.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.77 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -101.06 -34.53 9.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.145 0.498 . . . . 0.0 111.804 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.44 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 98.9 m-85 . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.432 -174.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . 0.435 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 27.9 Cg_exo . . . . . 0 N--CA 1.463 -0.32 0 CA-C-O 121.127 0.386 . . . . 0.0 112.317 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -98.96 -14.34 19.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.264 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -124.95 170.48 11.07 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.334 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.544 ' O ' HD21 ' B' ' 9' ' ' LEU . 2.3 tm? -63.86 -48.91 74.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.224 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -57.98 -42.2 84.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.112 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -59.61 -40.32 87.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.586 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.43 ' HG ' HD12 ' B' ' 61' ' ' LEU . 2.7 tm? -69.03 -42.83 75.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.314 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.544 HD21 ' O ' ' B' ' 5' ' ' LEU . 3.6 mm? -61.7 -41.66 97.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -68.23 -29.77 68.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.894 0.378 . . . . 0.0 110.476 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.504 ' NH2' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.71 -39.74 94.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.357 -178.152 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.462 ' CG2' HG22 ' A' ' 56' ' ' THR . 41.7 pt -97.36 -11.2 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.803 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.27 32.78 9.27 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.73 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.514 ' O ' HD11 ' B' ' 9' ' ' LEU . 3.3 mm? -122.59 28.03 7.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.774 0.321 . . . . 0.0 110.667 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -58.11 -20.3 38.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.96 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.05 -20.48 58.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.21 176.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -116.21 8.9 14.47 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -54.66 -46.93 74.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.151 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 47.3 t -63.67 -40.31 96.51 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.129 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 11.9 m -54.19 -49.35 69.56 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.091 0.472 . . . . 0.0 110.42 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.4 mm? -63.29 -53.52 51.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.244 176.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -53.6 -43.32 68.5 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.267 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 19' ' ' SER . 93.2 mt -63.38 -35.07 79.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.065 0.46 . . . . 0.0 111.298 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -96.6 11.0 36.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.585 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.14 -3.38 47.8 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.245 170.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.496 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 93.4 m-85 -88.7 76.46 8.06 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.132 0.492 . . . . 0.0 109.891 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -105.66 -11.79 16.18 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.677 -174.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -127.29 165.13 20.27 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.324 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.27 -26.49 67.36 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 174.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.32 -31.95 73.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.372 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.453 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 62.7 m-20 -81.83 -41.44 21.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.047 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 36.2 t80 -66.36 -27.82 68.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.617 -175.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.14 -3.87 29.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.316 0.579 . . . . 0.0 110.607 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -105.9 0.04 25.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.773 0.797 . . . . 0.0 109.445 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.476 HD11 HD12 ' B' ' 40' ' ' LEU . 2.3 tm? -74.98 121.01 21.3 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.636 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.479 ' C ' HD11 ' B' ' 55' ' ' LEU . 36.4 mmt180 -126.15 162.37 25.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.924 -174.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.567 ' N ' HD11 ' B' ' 55' ' ' LEU . 44.5 tt0 -58.42 -39.94 81.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.036 0.446 . . . . 0.0 110.811 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.6 m -58.56 -30.8 67.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.512 0.672 . . . . 0.0 110.443 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.637 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 56.5 m170 -77.73 -29.94 51.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.839 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.511 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 8.7 mp -66.67 -32.53 73.9 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 110.421 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.49 -36.8 79.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.568 . . . . 0.0 109.582 173.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.83 -36.86 64.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.394 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 53.3 mt -76.17 -9.32 58.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.2 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 69.14 23.56 6.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.381 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 67.8 mt -86.98 84.89 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.609 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.494 ' HA ' ' HE2' ' B' ' 46' ' ' MET . 24.1 mmt -90.1 -12.16 39.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.46 -173.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.71 109.91 2.34 Favored Pre-proline 0 N--CA 1.464 0.275 0 O-C-N 123.442 0.464 . . . . 0.0 110.396 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.06 -52.01 6.67 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.976 3.117 . . . . 0.0 114.438 -170.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.587 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 35.8 mt-30 -65.54 -39.4 91.71 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.089 0.471 . . . . 0.0 110.224 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -64.51 -38.7 91.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.692 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.511 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 53.3 mtp180 -57.23 -57.11 14.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.182 171.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.62 -42.78 62.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.604 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.587 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 32.9 mtpt -66.29 -50.68 62.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.87 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.9 -45.91 74.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.484 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.5 OUTLIER -65.94 -42.99 89.34 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.454 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.593 HG21 ' O ' ' A' ' 53' ' ' LYS . 34.6 m -61.44 -40.42 94.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.085 0.469 . . . . 0.0 110.757 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -61.89 -45.21 94.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 176.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -41.44 92.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.7 mm-40 -57.55 -54.5 46.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.637 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 57' ' ' ALA . 9.8 mp -69.31 -35.42 75.95 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.963 -176.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 53.2 mt -64.82 -24.29 67.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 118.192 0.451 . . . . 0.0 111.346 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.499 HD21 ' NH2' ' A' ' 11' ' ' ARG . 37.6 tp -74.34 -33.78 63.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -101.79 -34.24 9.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.073 0.463 . . . . 0.0 111.793 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . 0.448 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 98.9 m-85 . . . . . 0 C--N 1.319 -0.739 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.457 -174.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo . . . . . 0 N--CA 1.46 -0.449 0 CA-C-O 121.138 0.391 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -100.76 -6.53 24.81 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.62 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.2 p -125.65 163.97 21.63 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.191 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.508 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.6 tm? -65.44 -43.35 90.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.968 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.57 -48.15 75.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.938 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.35 -31.8 73.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.839 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.461 ' HG ' HD12 ' A' ' 61' ' ' LEU . 2.9 tm? -70.3 -42.22 72.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.533 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 14' ' ' LEU . 3.8 mm? -62.17 -39.61 93.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 44.1 mt-10 -68.86 -30.47 69.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.919 0.39 . . . . 0.0 110.446 176.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -41.44 96.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.979 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG2' HG22 ' B' ' 56' ' ' THR . 41.2 pt -92.84 -14.6 8.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.889 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.42 27.49 13.11 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.812 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 9' ' ' LEU . 3.8 mm? -119.09 31.39 6.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.96 0.41 . . . . 0.0 110.127 178.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 12.8 pt-20 -59.61 -19.11 46.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.816 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.6 pt-20 -60.87 -19.69 60.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.082 175.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.47 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 78.4 m-70 -120.09 9.91 11.28 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.1 m -54.53 -48.08 72.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 110.475 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.56 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 23.0 t -64.72 -37.12 86.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.115 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.0 m -55.19 -49.3 72.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.038 0.447 . . . . 0.0 110.45 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.7 mm? -64.12 -51.42 64.05 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.444 177.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.423 ' CD1' HD13 ' A' ' 5' ' ' LEU . 5.7 mp -54.19 -44.93 72.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.087 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 19' ' ' SER . 90.1 mt -67.52 -25.39 65.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.329 -177.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -100.95 11.24 40.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.088 0.471 . . . . 0.0 111.446 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.12 -10.19 56.71 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.793 -0.717 . . . . 0.0 113.083 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.467 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.3 m-85 -83.34 76.24 9.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.114 0.483 . . . . 0.0 109.849 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -108.74 -1.75 19.13 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.467 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.6 p -133.87 157.94 44.68 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.147 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.81 -26.39 65.16 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.766 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.67 -24.4 59.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.014 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.7 -35.43 15.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.508 ' CD2' HD21 ' A' ' 5' ' ' LEU . 44.4 t80 -67.45 -25.8 66.08 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.308 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 18.2 ptpt -69.67 -4.27 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.811 -0.555 . . . . 0.0 110.68 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.71 0.93 33.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.69 175.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.28 131.31 43.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.708 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -132.03 166.55 21.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.926 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.473 ' N ' HD13 ' A' ' 55' ' ' LEU . 44.2 tt0 -67.98 -37.49 81.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.081 0.467 . . . . 0.0 109.759 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -60.51 -30.9 70.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.835 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.732 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 65.6 m170 -76.13 -31.24 58.52 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.746 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.581 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 6.9 mp -68.45 -31.83 71.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.83 175.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.12 -32.56 71.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.482 0.658 . . . . 0.0 109.505 172.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 12.0 mm-40 -78.16 -37.5 45.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.353 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 62.7 mt -78.15 -3.3 41.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.287 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 67.77 28.62 7.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.772 0.796 . . . . 0.0 110.168 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.4 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 54.0 mt -100.69 77.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.494 178.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.4 -9.13 57.96 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.992 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 21.9 m-20 -60.68 109.53 2.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.569 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 48.9 Cg_exo -56.02 -46.91 27.67 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.963 3.109 . . . . 0.0 114.281 -171.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.579 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 51.6 mt-30 -69.34 -36.88 77.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.349 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -66.74 -39.71 88.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.581 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 41.8 mtp180 -57.53 -54.77 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.248 171.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB2' ' CG ' ' B' ' 53' ' ' LYS . . . -52.18 -43.64 64.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.397 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 27.9 mtpt -67.72 -53.21 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.139 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.7 mt -56.0 -42.71 76.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.412 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 3.7 mm? -64.9 -43.87 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.544 HG21 ' O ' ' B' ' 53' ' ' LYS . 48.2 m -64.57 -38.57 91.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.061 0.458 . . . . 0.0 110.658 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.76 -45.0 96.03 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.967 175.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.21 99.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 9.0 mm-40 -57.63 -52.66 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.952 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.0 mp -68.57 -43.93 75.52 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.579 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.461 HD12 ' HG ' ' A' ' 8' ' ' LEU . 77.2 mt -59.92 -27.15 66.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.251 0.478 . . . . 0.0 111.122 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 50.8 tp -62.32 -37.51 85.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.737 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -106.66 -25.77 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.369 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.322 -0.626 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -170.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo . . . . . 0 N--CA 1.463 -0.293 0 CA-C-O 121.14 0.392 . . . . 0.0 112.197 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -100.87 -7.07 23.87 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.567 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.1 p -125.14 163.7 21.85 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.279 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.512 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.6 tm? -65.17 -43.46 91.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.937 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.37 -48.21 74.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.914 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.4 -31.59 72.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.967 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.478 ' HG ' HD12 ' B' ' 61' ' ' LEU . 2.9 tm? -70.47 -42.0 72.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.635 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.484 HD13 ' O ' ' B' ' 14' ' ' LEU . 3.8 mm? -62.41 -39.56 93.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.84 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 44.9 mt-10 -69.07 -30.24 68.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.909 0.385 . . . . 0.0 110.46 176.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.4 ' NH1' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.22 -41.48 97.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.087 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.458 ' CG2' HG22 ' A' ' 56' ' ' THR . 40.9 pt -93.08 -14.22 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.891 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.09 27.4 13.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.795 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.484 ' O ' HD13 ' B' ' 9' ' ' LEU . 3.7 mm? -119.01 31.16 6.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.903 0.382 . . . . 0.0 110.144 178.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.415 ' HB3' ' HG2' ' B' ' 10' ' ' GLU . 12.7 pt-20 -59.53 -19.04 45.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.758 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.459 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 11.6 pt-20 -61.04 -19.63 61.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.025 175.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.459 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 78.7 m-70 -120.12 10.06 11.31 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -175.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.8 m -54.81 -47.58 73.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.945 0.402 . . . . 0.0 110.563 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.556 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 22.7 t -65.15 -37.39 87.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.919 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.7 m -54.82 -49.4 71.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.953 0.406 . . . . 0.0 110.491 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.7 mm? -64.08 -51.56 63.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.38 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.425 ' CD1' HD13 ' B' ' 5' ' ' LEU . 5.7 mp -54.02 -45.32 71.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.053 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' B' ' 19' ' ' SER . 90.9 mt -67.1 -25.19 66.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.399 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -101.04 11.06 40.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.183 0.516 . . . . 0.0 111.48 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.2 -10.41 56.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.075 171.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.474 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.1 m-85 -83.11 76.07 9.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.2 0.524 . . . . 0.0 109.896 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -108.67 -1.8 19.19 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.561 -176.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.1 p -133.71 158.03 44.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.347 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 73.6 mt -68.61 -26.77 65.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.705 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.37 -24.28 60.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.056 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -89.93 -35.51 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.144 0.497 . . . . 0.0 109.685 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.512 ' CD2' HD21 ' B' ' 5' ' ' LEU . 44.1 t80 -67.3 -25.56 66.09 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.3 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.441 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 18.3 ptpt -69.67 -4.64 20.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.808 -0.558 . . . . 0.0 110.662 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.24 0.66 34.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.802 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.15 131.34 43.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.786 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -132.22 166.31 22.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.9 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.478 ' N ' HD13 ' B' ' 55' ' ' LEU . 43.7 tt0 -67.5 -37.58 83.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.136 0.493 . . . . 0.0 109.861 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 17.9 m -60.77 -30.73 70.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.811 174.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.74 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 65.8 m170 -75.98 -31.35 58.96 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.818 178.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.575 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 6.9 mp -68.55 -31.69 71.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.769 175.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.26 -32.36 71.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.371 0.605 . . . . 0.0 109.453 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' B' ' 39' ' ' HIS . 11.2 mm-40 -78.35 -37.31 44.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.431 176.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 63.1 mt -78.28 -3.54 43.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.286 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 68.1 28.26 6.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.193 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.413 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 54.4 mt -100.26 77.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.529 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 26.1 mmt -85.34 -8.63 58.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.949 -175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -61.16 109.83 2.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.571 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -56.11 -46.68 29.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.938 3.092 . . . . 0.0 114.243 -171.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 51.5 mt-30 -69.67 -36.76 76.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.934 0.397 . . . . 0.0 110.32 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -66.77 -39.7 87.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 42.1 mtp180 -57.5 -54.78 42.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.315 171.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . . . -52.2 -43.57 64.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.438 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 27.9 mtpt -67.68 -53.22 29.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.138 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -55.89 -42.89 76.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.327 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.525 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 3.7 mm? -64.88 -43.67 92.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.541 HG21 ' O ' ' A' ' 53' ' ' LYS . 50.8 m -64.69 -38.55 91.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.929 0.395 . . . . 0.0 110.501 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.46 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.95 -45.05 96.28 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.889 176.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.13 99.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.031 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 10.5 mm-40 -57.74 -52.66 64.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.882 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.1 mp -68.56 -44.02 75.38 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.665 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.478 HD12 ' HG ' ' B' ' 8' ' ' LEU . 77.1 mt -59.88 -27.34 66.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.139 0.427 . . . . 0.0 111.061 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' B' ' 59' ' ' GLU . 50.0 tp -61.88 -38.14 87.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.812 177.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -106.07 -26.06 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.27 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.323 -0.574 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -170.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.436 ' HD3' ' OD2' ' B' ' 63' ' ' ASP . 3.2 Cg_exo . . . . . 0 N--CA 1.459 -0.529 0 CA-C-O 120.95 0.313 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -102.3 -22.35 14.15 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.193 0.521 . . . . 0.0 109.911 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.459 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 48.8 p -114.87 171.07 7.87 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.501 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.5 tm? -63.22 -47.11 83.88 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.28 -178.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.442 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 53.7 t-80 -53.37 -46.67 69.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.369 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.459 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 24.9 mm-40 -68.46 -33.49 74.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.435 -176.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' HG ' HD13 ' A' ' 61' ' ' LEU . 3.0 tm? -66.76 -42.73 85.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.1 mm? -62.2 -38.25 88.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.09 -31.78 69.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.832 0.349 . . . . 0.0 110.556 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.476 ' HD2' ' HB3' ' B' ' 59' ' ' GLU . 14.3 tpp180 -61.2 -43.75 98.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' CG2' HG22 ' B' ' 56' ' ' THR . 40.3 pt -91.18 -12.86 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.873 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.79 20.45 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.544 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 9' ' ' LEU . 3.9 mm? -118.35 30.32 7.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.926 0.394 . . . . 0.0 110.272 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.3 pt-20 -59.28 -19.26 44.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -58.21 -21.69 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.047 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -121.22 12.69 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.987 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.497 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 13.3 m -56.52 -47.11 80.07 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.452 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.3 m -64.13 -35.78 81.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.413 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -58.24 -51.87 67.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.062 0.458 . . . . 0.0 110.1 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.1 mm? -63.19 -52.87 60.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.14 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 tp -52.16 -48.48 64.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.969 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 19' ' ' SER . 92.9 mt -70.87 -26.93 63.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.471 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -96.14 18.8 12.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.624 -176.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.31 -7.54 56.53 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.704 -0.76 . . . . 0.0 113.0 170.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.482 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 95.0 m-85 -90.92 82.3 5.65 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.269 0.556 . . . . 0.0 109.963 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -109.5 -17.57 13.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.932 -174.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 p -125.25 168.79 12.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -68.69 -27.45 65.97 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.37 -28.89 67.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.545 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.452 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 61.1 m-20 -78.63 -48.07 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.009 0.433 . . . . 0.0 109.856 175.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.409 ' CD2' HD22 ' A' ' 5' ' ' LEU . 42.5 t80 -63.38 -27.93 69.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.909 -173.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 17.6 ptpt -67.12 -9.4 39.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.012 -0.43 . . . . 0.0 111.021 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -100.07 2.81 43.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.392 0.615 . . . . 0.0 110.215 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.17 132.26 44.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.444 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -128.64 162.78 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.12 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' N ' HD13 ' A' ' 55' ' ' LEU . 45.1 tt0 -65.86 -40.78 91.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.931 0.396 . . . . 0.0 110.249 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 38.8 m -61.78 -26.09 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.096 176.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.74 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 37.3 m170 -75.45 -35.0 61.0 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 5.4 mp -65.75 -34.33 77.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.538 174.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.2 m-20 -58.17 -36.52 73.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.424 0.63 . . . . 0.0 109.909 171.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 38' ' ' THR . 18.8 mm-40 -74.04 -39.89 63.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.555 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 49.2 mt -78.25 -5.58 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.971 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 66.97 32.29 6.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.452 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 64.7 mt -94.62 79.99 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 175.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.45 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 2.2 mmt -88.08 -11.04 48.29 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.455 -172.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 9.1 m-20 -59.12 110.1 2.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.475 177.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 32.0 Cg_exo -58.33 -49.15 13.02 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.893 3.062 . . . . 0.0 114.391 -170.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.574 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.5 mt-30 -68.58 -35.08 76.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.091 0.472 . . . . 0.0 109.945 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -67.63 -39.43 84.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.405 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 41.9 mtp180 -57.87 -53.54 57.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.262 171.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.444 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.57 -43.11 65.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.364 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.578 ' O ' HG21 ' B' ' 56' ' ' THR . 29.0 mtpt -66.39 -51.73 54.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.975 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -55.73 -43.93 77.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.402 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 37' ' ' GLU . 3.9 mm? -65.8 -40.67 92.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.433 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.56 HG21 ' O ' ' B' ' 53' ' ' LYS . 40.8 m -65.17 -41.49 94.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.07 0.462 . . . . 0.0 110.633 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -61.33 -43.51 98.74 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.113 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.59 92.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.495 ' HB3' ' HD2' ' B' ' 11' ' ' ARG . 30.4 mm-40 -57.98 -48.62 79.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.529 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' B' ' 57' ' ' ALA . 7.3 mp -68.4 -48.24 65.2 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.44 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 60.9 mt -56.77 -25.89 56.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.622 0.248 . . . . 0.0 111.236 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.04 -42.18 76.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.456 ' OD2' ' HD3' ' B' ' 2' ' ' PRO . 40.6 m-20 -107.87 -28.79 9.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.037 0.446 . . . . 0.0 112.142 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.467 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 98.2 m-85 . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -169.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . 0.456 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 2.8 Cg_exo . . . . . 0 N--CA 1.459 -0.531 0 CA-C-O 120.952 0.313 . . . . 0.0 111.798 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -102.64 -22.19 14.01 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.178 0.513 . . . . 0.0 109.972 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.452 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 48.6 p -114.57 171.65 7.51 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.508 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.477 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.5 tm? -63.89 -46.98 82.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.098 -178.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.441 ' HA ' ' CG2' ' B' ' 18' ' ' THR . 53.6 t-80 -53.37 -46.69 69.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.405 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.452 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.2 mm-40 -68.42 -33.5 74.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.498 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.432 ' HG ' HD13 ' B' ' 61' ' ' LEU . 3.0 tm? -66.82 -42.7 85.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.484 HD13 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -62.23 -38.17 88.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -70.07 -31.92 69.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.769 0.318 . . . . 0.0 110.428 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.495 ' HD2' ' HB3' ' A' ' 59' ' ' GLU . 14.3 tpp180 -61.11 -43.97 98.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.587 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.475 ' CG2' HG22 ' A' ' 56' ' ' THR . 40.0 pt -90.93 -13.18 9.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.791 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.13 28.52 20.23 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.556 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.484 ' O ' HD13 ' B' ' 9' ' ' LEU . 3.9 mm? -118.14 30.17 7.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.813 0.34 . . . . 0.0 110.212 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.493 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 12.3 pt-20 -59.21 -18.88 40.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.577 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -59.06 -20.2 51.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.142 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -122.19 12.94 10.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.996 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 14.3 m -56.71 -47.17 80.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.406 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.473 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 15.2 m -63.99 -36.05 82.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.312 178.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -57.96 -51.97 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.033 0.444 . . . . 0.0 110.064 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.0 mm? -63.2 -52.81 60.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.239 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 tp -52.15 -48.58 64.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.826 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 19' ' ' SER . 92.8 mt -70.72 -27.17 63.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.515 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -95.98 18.6 13.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.974 0.416 . . . . 0.0 111.605 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.68 -7.9 56.0 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.009 170.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.47 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 95.1 m-85 -90.67 82.51 5.77 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.313 0.578 . . . . 0.0 110.146 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -109.62 -17.53 13.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.966 -173.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 53.0 p -125.34 169.16 12.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.458 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.79 -26.9 65.44 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.26 -28.42 66.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.542 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 58.1 m-20 -78.92 -48.0 15.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.075 0.464 . . . . 0.0 109.8 175.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.414 ' CD2' HD22 ' B' ' 5' ' ' LEU . 42.5 t80 -63.29 -27.9 69.65 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.926 -173.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 17.7 ptpt -67.21 -9.29 38.78 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.143 178.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -100.24 3.05 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.329 0.585 . . . . 0.0 110.108 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.36 132.03 44.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.33 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -128.62 162.82 26.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.063 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.478 ' N ' HD13 ' B' ' 55' ' ' LEU . 45.3 tt0 -65.78 -40.64 92.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 0.0 110.4 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 51.7 m -62.18 -25.63 67.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.351 0.596 . . . . 0.0 110.226 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.737 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 37.8 m170 -75.52 -34.84 60.81 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.449 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 5.4 mp -66.01 -34.33 77.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.355 174.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' B' ' 38' ' ' THR . 6.1 m-20 -58.26 -36.49 73.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.336 0.589 . . . . 0.0 109.761 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 38' ' ' THR . 22.7 mm-40 -73.91 -40.01 63.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.63 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 48.7 mt -78.17 -5.42 51.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.068 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 67.11 31.65 6.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.449 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 64.4 mt -94.23 79.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.966 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.461 ' HA ' ' HE2' ' B' ' 46' ' ' MET . 2.1 mmt -87.61 -11.22 49.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.571 -172.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -58.85 110.08 2.37 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.362 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.41 -49.46 12.11 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.936 3.091 . . . . 0.0 114.342 -170.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.578 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.8 mt-30 -68.28 -35.1 77.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.061 0.458 . . . . 0.0 109.977 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -67.72 -39.53 84.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.383 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.423 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 42.3 mtp180 -57.46 -53.84 53.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.275 171.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.449 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.55 -43.05 64.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.252 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 29.1 mtpt -66.34 -51.76 54.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.991 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 88.7 mt -55.73 -44.07 77.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.372 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.478 HD13 ' N ' ' B' ' 37' ' ' GLU . 3.9 mm? -65.7 -40.66 92.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.421 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 53' ' ' LYS . 40.6 m -65.29 -41.38 94.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.13 0.49 . . . . 0.0 110.631 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -61.33 -43.53 98.71 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.073 177.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.59 92.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.791 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.476 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 32.2 mm-40 -57.87 -48.58 79.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.505 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 57' ' ' ALA . 7.3 mp -68.6 -48.14 64.9 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.372 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 60.9 mt -56.9 -25.87 57.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.761 0.255 . . . . 0.0 111.281 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.95 -42.12 75.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 177.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' HD3' ' A' ' 2' ' ' PRO . 38.1 m-20 -108.32 -28.02 9.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.171 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . 0.467 ' HB3' ' O ' ' A' ' 64' ' ' TYR . 98.2 m-85 . . . . . 0 C--N 1.319 -0.744 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -169.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo . . . . . 0 C--O 1.233 0.256 0 CA-C-O 121.205 0.419 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -87.42 -20.54 26.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.431 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.6 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 70.9 p -123.41 170.13 10.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.184 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 32' ' ' PHE . 2.2 tm? -65.49 -43.11 91.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.87 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -53.76 -47.19 70.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.088 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.6 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 26.7 mm-40 -67.04 -31.8 72.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.349 -177.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.47 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -69.63 -43.32 72.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.118 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.1 mm? -63.0 -41.16 99.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.867 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.67 -28.01 67.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.008 0.432 . . . . 0.0 110.369 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' NH2' HD22 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -67.18 -44.62 79.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.183 -178.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.486 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.2 pt -93.02 -6.78 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.901 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.7 28.28 24.51 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.787 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.5 mm? -119.46 28.41 8.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.847 0.356 . . . . 0.0 110.569 177.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.6 pt-20 -59.42 -17.31 29.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.831 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.63 -23.12 67.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.091 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -114.34 7.46 16.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.876 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.474 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 7.2 m -54.88 -44.02 73.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.794 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.54 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 29.4 m -57.66 -42.26 83.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.874 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -56.54 -48.08 78.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.93 0.395 . . . . 0.0 110.712 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -63.74 -52.47 60.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.169 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.416 ' CD1' HD12 ' A' ' 5' ' ' LEU . 6.0 mp -55.38 -41.37 72.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.232 -178.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 19' ' ' SER . 89.2 mt -69.86 -26.62 64.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.856 0.36 . . . . 0.0 111.336 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -100.6 12.34 37.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.968 0.413 . . . . 0.0 111.373 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.44 -8.95 58.86 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.111 171.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.45 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 87.1 m-85 -83.7 73.34 10.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.228 0.537 . . . . 0.0 109.757 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -104.61 -9.58 18.15 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.165 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.8 p -128.2 160.43 32.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.277 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.01 -27.62 65.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.386 0.613 . . . . 0.0 109.686 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.493 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 44.3 mt-10 -68.52 -27.98 66.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.757 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -90.41 -38.34 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.094 0.474 . . . . 0.0 110.094 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CD2' HD22 ' A' ' 5' ' ' LEU . 66.0 t80 -64.88 -26.93 68.54 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.054 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 17.2 ptpt -67.73 -12.44 60.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.184 0.516 . . . . 0.0 110.965 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -96.79 -4.3 40.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.678 0.751 . . . . 0.0 109.427 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.534 ' HB3' ' O ' ' A' ' 32' ' ' PHE . 2.9 tm? -74.97 123.66 25.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.045 177.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -131.32 174.68 9.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.052 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.96 -45.76 91.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.1 m -59.42 -27.26 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.322 0.582 . . . . 0.0 110.323 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.713 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 13.3 m170 -76.64 -34.52 58.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.888 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.545 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 6.7 mp -67.26 -31.88 72.52 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 176.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -60.21 -33.17 71.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.303 0.573 . . . . 0.0 109.625 173.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -78.06 -38.2 44.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.435 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 60.7 mt -77.07 -3.11 37.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.354 -177.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.6 t30 71.28 14.56 6.51 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.623 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.411 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 61.2 mt -82.57 77.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.668 0.746 . . . . 0.0 109.226 177.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.491 ' HE1' ' HA ' ' A' ' 46' ' ' MET . 3.8 mmt -84.18 -3.13 57.94 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.341 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.518 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 62.4 m-20 -58.15 107.01 0.79 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.882 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.65 -52.08 4.23 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.399 2.733 . . . . 0.0 114.077 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.4 mt-30 -71.64 -34.24 69.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.329 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.518 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 60.7 m170 -67.16 -39.5 86.49 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.822 178.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.548 ' O ' HD21 ' A' ' 55' ' ' LEU . 32.0 mtp180 -54.69 -55.11 33.22 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.792 170.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB3' ' CG ' ' B' ' 53' ' ' LYS . . . -51.68 -44.29 63.06 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.459 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 30.4 mtpt -68.19 -53.93 21.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.147 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -53.11 -45.8 68.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.102 0.477 . . . . 0.0 111.335 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -64.84 -46.25 82.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.733 -178.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.515 HG22 ' O ' ' B' ' 53' ' ' LYS . 81.2 m -59.9 -40.04 87.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.012 0.434 . . . . 0.0 110.889 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -58.88 -48.72 80.4 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.052 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.5 91.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.286 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 16.0 mm-40 -56.36 -54.9 40.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.26 0.552 . . . . 0.0 110.046 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' B' ' 57' ' ' ALA . 7.6 mp -67.39 -40.3 85.64 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.78 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.47 HD11 ' HG ' ' A' ' 8' ' ' LEU . 95.2 mt -64.28 -21.87 66.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.789 0.328 . . . . 0.0 111.725 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.572 HD22 ' NH2' ' B' ' 11' ' ' ARG . 34.4 tp -74.55 -26.92 60.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.949 0.404 . . . . 0.0 110.563 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -105.61 -45.31 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.859 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.034 -174.754 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo . . . . . 0 N--CA 1.463 -0.28 0 CA-C-O 121.127 0.386 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -87.39 -20.21 27.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.447 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.595 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 73.9 p -123.54 170.22 10.63 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.064 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' B' ' 32' ' ' PHE . 2.3 tm? -65.73 -42.98 90.38 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.74 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -53.6 -47.08 70.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.215 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.595 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 31.9 mm-40 -67.22 -31.78 72.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 -177.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -69.71 -43.27 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.156 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.512 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.1 mm? -63.01 -41.25 99.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.801 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.403 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 42.1 mt-10 -67.5 -28.16 67.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.368 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.572 ' NH2' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -67.18 -44.41 79.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.198 -178.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.476 ' CG2' HG23 ' A' ' 56' ' ' THR . 38.9 pt -93.0 -7.04 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.867 -176.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.69 28.24 24.65 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.944 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.512 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.5 mm? -119.25 28.35 8.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 120.815 0.34 . . . . 0.0 110.554 177.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.477 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.9 pt-20 -59.6 -16.98 29.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.79 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.07 -22.35 66.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.181 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -115.02 7.55 15.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.882 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.477 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 7.2 m -54.85 -43.92 73.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 110.764 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 24.1 m -58.18 -42.14 85.44 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.723 178.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -56.27 -48.26 76.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.0 110.685 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.449 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -63.68 -52.42 60.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.234 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.416 ' CD1' HD12 ' B' ' 5' ' ' LEU . 6.0 mp -55.51 -41.51 73.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.153 -178.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.7 mt -69.56 -26.81 64.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.402 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -100.33 11.97 38.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.114 0.483 . . . . 0.0 111.406 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.53 -8.6 58.53 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.02 171.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.449 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 87.2 m-85 -83.84 73.45 10.31 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.157 0.504 . . . . 0.0 109.76 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -104.85 -9.63 17.89 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.226 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 74.1 p -128.04 160.09 33.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.286 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.66 -27.62 66.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.368 0.604 . . . . 0.0 109.824 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 44.1 mt-10 -68.45 -28.15 66.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.883 178.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -90.02 -38.27 13.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.168 0.509 . . . . 0.0 110.055 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.534 ' CD2' HD22 ' B' ' 5' ' ' LEU . 66.0 t80 -65.11 -27.02 68.46 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.928 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 17.2 ptpt -67.72 -12.73 61.16 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.879 -0.513 . . . . 0.0 110.957 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -96.44 -4.24 42.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.582 0.706 . . . . 0.0 109.419 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.529 ' HB3' ' O ' ' B' ' 32' ' ' PHE . 2.9 tm? -75.08 123.76 25.79 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.073 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -131.3 174.82 9.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.958 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.06 -45.72 91.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 -177.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 26.3 m -59.4 -27.43 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.332 0.587 . . . . 0.0 110.288 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.716 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 13.3 m170 -76.52 -34.47 58.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.83 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.535 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 6.7 mp -67.32 -31.98 72.63 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.777 176.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.03 -33.6 72.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.391 0.615 . . . . 0.0 109.63 173.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.52 -38.47 48.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.481 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 61.3 mt -76.81 -3.53 38.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.378 -177.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 9.4 t30 71.83 14.3 5.98 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 110.465 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.429 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 61.1 mt -82.31 77.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.675 0.75 . . . . 0.0 109.205 177.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.499 ' HE1' ' HA ' ' B' ' 46' ' ' MET . 4.0 mmt -84.24 -3.1 57.98 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.276 -177.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.501 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 62.8 m-20 -58.4 106.81 0.76 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.809 175.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.63 -51.82 4.58 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.418 2.746 . . . . 0.0 114.139 -170.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.562 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 52.6 mt-30 -71.79 -34.26 69.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.079 0.466 . . . . 0.0 110.238 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.501 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 60.4 m170 -67.1 -39.66 86.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.737 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.547 ' O ' HD21 ' B' ' 55' ' ' LEU . 32.5 mtp180 -54.47 -55.2 31.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.73 170.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.497 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . . . -51.72 -44.38 63.21 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.424 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 30.4 mtpt -68.12 -53.81 22.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.216 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 77.9 mt -53.23 -45.85 68.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.066 0.46 . . . . 0.0 111.242 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -64.77 -46.35 82.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.702 -178.665 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 53' ' ' LYS . 82.9 m -59.83 -39.93 86.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.042 0.449 . . . . 0.0 110.855 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.459 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.1 -48.43 81.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.053 176.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.58 92.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.277 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 16.2 mm-40 -56.25 -54.95 39.3 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.407 0.622 . . . . 0.0 110.126 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.6 mp -67.46 -40.13 85.35 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.783 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.466 HD11 ' HG ' ' B' ' 8' ' ' LEU . 94.8 mt -64.42 -21.76 66.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.865 0.364 . . . . 0.0 111.717 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.541 HD22 ' NH2' ' A' ' 11' ' ' ARG . 34.2 tp -74.4 -27.33 60.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.043 0.449 . . . . 0.0 110.486 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -105.28 -45.23 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.934 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.072 -174.628 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo . . . . . 0 N--CA 1.461 -0.392 0 CA-C-O 120.988 0.328 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -101.36 -14.78 17.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.067 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.452 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 24.3 p -131.37 173.8 10.71 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.524 -178.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.3 tm? -63.42 -51.47 65.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.961 -174.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -53.15 -42.08 65.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.405 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.452 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 28.4 mm-40 -68.9 -33.38 73.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.38 -176.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -69.49 -41.12 76.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.806 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 5' ' ' LEU . 3.9 mm? -62.37 -40.95 98.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.834 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.92 -33.47 75.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.086 0.469 . . . . 0.0 110.406 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.497 HH22 HD23 ' B' ' 62' ' ' LEU . 0.1 OUTLIER -62.2 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.388 -179.028 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CG2' HG21 ' B' ' 56' ' ' THR . 39.6 pt -92.35 -12.48 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.786 -177.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.16 33.08 9.06 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.944 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 9' ' ' LEU . 2.2 mm? -124.97 30.63 5.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.72 0.295 . . . . 0.0 110.599 177.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.55 -19.8 51.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.676 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.62 -21.38 62.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.299 175.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -117.07 9.8 13.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.86 -175.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 m -57.07 -48.39 78.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.758 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 19.0 m -60.67 -35.26 75.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.278 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 m -58.85 -49.18 78.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.116 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -60.0 -52.46 65.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.072 176.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.405 ' CD1' HD13 ' A' ' 5' ' ' LEU . 7.2 mp -54.64 -42.68 71.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.517 . . . . 0.0 112.058 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.8 mt -68.5 -25.88 65.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.948 0.404 . . . . 0.0 111.338 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.49 ' ND2' ' HG ' ' A' ' 43' ' ' LEU . 31.5 m-80 -99.72 12.36 36.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.238 0.542 . . . . 0.0 111.257 -178.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.5 -10.94 59.62 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.781 171.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 94.1 m-85 -83.85 72.86 10.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.191 0.519 . . . . 0.0 110.15 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -101.92 -6.45 23.48 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.119 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -131.77 160.46 35.49 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.165 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.18 -27.1 65.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.432 0.634 . . . . 0.0 109.301 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 25.7 tp10 -66.77 -31.54 72.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.692 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -87.03 -40.24 14.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.14 0.495 . . . . 0.0 109.806 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.43 ' CD1' HD21 ' A' ' 5' ' ' LEU . 55.5 t80 -63.4 -27.97 69.67 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.975 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 16.7 ptpt -66.95 -4.66 10.1 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.029 -0.419 . . . . 0.0 111.452 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -105.49 5.07 31.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.236 0.541 . . . . 0.0 110.285 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 3.4 tm? -72.11 126.04 28.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.492 -177.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 35' ' ' LEU . 20.6 mmt180 -128.26 169.71 13.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.424 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' HB2' HD22 ' A' ' 55' ' ' LEU . 43.9 tt0 -60.96 -46.79 89.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.827 0.346 . . . . 0.0 110.777 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 12.0 m -57.15 -25.26 58.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.802 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.424 ' O ' HD12 ' A' ' 43' ' ' LEU . 37.1 m170 -76.42 -42.66 43.4 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.367 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.525 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 2.1 mp -61.33 -30.35 70.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.037 177.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.5 m-20 -55.23 -38.48 68.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.003 171.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.59 -35.83 39.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.661 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HG ' ' ND2' ' A' ' 24' ' ' ASN . 11.0 mp -76.54 -2.21 31.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.524 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.39 18.81 5.45 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.833 0.825 . . . . 0.0 110.072 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.525 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 57.7 mt -91.75 77.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.401 0.62 . . . . 0.0 109.422 177.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.432 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 2.0 mmt -82.7 -10.65 58.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.399 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 54.6 m-20 -51.71 105.95 0.59 Allowed Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.349 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.65 -49.25 10.68 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.578 2.852 . . . . 0.0 114.009 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.9 mt-30 -70.14 -36.92 75.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.128 0.49 . . . . 0.0 110.204 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 23.2 m170 -67.26 -40.01 86.15 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.481 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HA ' HD23 ' A' ' 40' ' ' LEU . 42.5 mtp180 -55.49 -52.58 63.19 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.027 171.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.511 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.01 -42.5 65.69 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.131 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.557 ' O ' HG23 ' B' ' 56' ' ' THR . 27.9 mtpt -68.71 -53.81 19.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.7 mt -54.99 -42.77 72.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.29 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.575 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -63.28 -48.27 78.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.477 179.316 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.526 HG23 ' O ' ' B' ' 53' ' ' LYS . 54.9 m -61.26 -40.94 95.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.021 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.475 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -58.97 -48.03 83.0 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.889 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.32 97.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 39.9 mm-40 -56.31 -55.36 34.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.313 0.578 . . . . 0.0 110.289 177.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.7 mp -66.05 -45.74 80.29 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.547 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 8' ' ' LEU . 83.7 mt -59.69 -20.75 58.35 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD23 HH22 ' B' ' 11' ' ' ARG . 31.7 tp -74.98 -27.45 60.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.014 0.435 . . . . 0.0 110.795 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -110.02 -33.53 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.833 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.594 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.221 -173.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo . . . . . 0 N--CA 1.46 -0.447 0 CA-C-O 121.072 0.364 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -101.2 -14.72 17.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.056 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 24.0 p -131.54 173.59 10.96 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.515 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.514 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -63.28 -51.67 65.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.87 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -53.01 -41.95 65.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.487 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . 0.443 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 28.6 mm-40 -69.09 -33.25 73.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.49 -176.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.459 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -69.44 -41.19 76.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.778 179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.514 HD23 ' O ' ' B' ' 5' ' ' LEU . 3.9 mm? -62.37 -40.69 97.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.848 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.26 -33.2 74.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.379 . . . . 0.0 110.375 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.438 HH22 HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -62.3 -44.12 97.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.326 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.501 ' CG2' HG21 ' A' ' 56' ' ' THR . 39.8 pt -92.15 -12.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.614 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.88 33.29 9.13 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.936 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.506 ' O ' HD11 ' B' ' 9' ' ' LEU . 2.2 mm? -124.86 30.25 5.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.774 0.321 . . . . 0.0 110.661 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.11 -19.99 49.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.739 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -60.19 -21.97 62.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.37 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -116.74 9.67 14.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.95 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.4 m -57.04 -48.27 78.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.03 0.443 . . . . 0.0 110.774 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.541 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 17.4 m -60.61 -35.47 76.23 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.245 177.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -58.79 -49.14 78.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 0.0 110.111 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -60.06 -52.46 65.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.055 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.405 ' CD1' HD13 ' B' ' 5' ' ' LEU . 7.2 mp -54.6 -42.73 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.032 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 19' ' ' SER . 92.0 mt -68.62 -25.79 65.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.997 0.427 . . . . 0.0 111.269 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.497 ' ND2' ' HG ' ' B' ' 43' ' ' LEU . 33.0 m-80 -99.74 12.7 35.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.236 0.541 . . . . 0.0 111.102 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.07 -10.77 60.29 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.834 171.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.458 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 94.0 m-85 -83.92 72.9 10.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.194 0.521 . . . . 0.0 110.206 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -102.11 -6.07 23.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.033 -177.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.9 p -131.98 160.43 35.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.108 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.13 -27.29 65.44 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.448 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 26.5 tp10 -66.87 -31.3 71.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.586 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.98 -40.65 14.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.124 0.488 . . . . 0.0 109.846 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.431 ' CD1' HD21 ' B' ' 5' ' ' LEU . 55.3 t80 -63.11 -28.08 69.83 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.006 -177.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 16.7 ptpt -66.75 -4.63 9.5 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.022 -0.424 . . . . 0.0 111.465 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -105.48 4.99 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.2 0.524 . . . . 0.0 110.286 176.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.486 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 3.4 tm? -72.16 125.9 28.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.402 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' B' ' 35' ' ' LEU . 20.5 mmt180 -128.17 170.05 13.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 -178.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.436 ' HB2' HD22 ' B' ' 55' ' ' LEU . 43.3 tt0 -61.43 -46.54 89.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.6 m -57.58 -25.03 59.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.725 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.421 ' O ' HD12 ' B' ' 43' ' ' LEU . 37.6 m170 -76.32 -42.79 43.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.432 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.527 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 2.1 mp -61.21 -30.38 70.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.124 177.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.34 -38.27 68.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.013 171.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -79.99 -35.03 38.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.497 ' HG ' ' ND2' ' B' ' 24' ' ' ASN . 10.9 mp -77.17 -2.16 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.434 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.21 18.76 5.64 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.749 0.785 . . . . 0.0 110.233 178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.527 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 57.5 mt -91.62 77.49 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.452 177.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.434 ' HA ' ' HE2' ' B' ' 46' ' ' MET . 2.0 mmt -83.03 -10.79 58.57 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.236 -177.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.583 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 52.0 m-20 -51.33 105.9 0.58 Allowed Pre-proline 0 C--O 1.224 -0.246 0 O-C-N 124.222 0.951 . . . . 0.0 110.355 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.52 -49.46 10.4 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.468 2.778 . . . . 0.0 114.088 -171.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.1 mt-30 -69.96 -36.84 75.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.07 0.462 . . . . 0.0 110.283 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 22.7 m170 -67.26 -40.05 86.17 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.49 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.479 ' HA ' HD23 ' B' ' 40' ' ' LEU . 42.3 mtp180 -55.51 -52.31 64.1 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.109 171.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.492 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.31 -42.58 66.81 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.159 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.526 ' O ' HG23 ' A' ' 56' ' ' THR . 28.1 mtpt -68.59 -53.73 20.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.128 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -55.04 -42.76 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.28 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.565 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.1 OUTLIER -63.4 -48.13 79.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.465 179.303 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 53' ' ' LYS . 55.2 m -61.27 -41.05 96.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.985 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.437 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -58.84 -48.03 82.78 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.893 176.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.21 96.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.346 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 39.3 mm-40 -56.41 -55.12 37.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.184 0.516 . . . . 0.0 110.346 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.7 mp -66.31 -45.62 79.71 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.587 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.459 HD11 ' HG ' ' B' ' 8' ' ' LEU . 84.7 mt -59.74 -20.58 57.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.497 HD23 HH22 ' A' ' 11' ' ' ARG . 31.7 tp -75.26 -27.25 59.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.773 0.32 . . . . 0.0 110.789 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -110.25 -33.66 6.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.13 0.49 . . . . 0.0 111.73 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . 0.594 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.287 -173.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.432 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 22.2 Cg_exo . . . . . 0 CA--C 1.516 -0.4 0 CA-C-O 121.329 0.47 . . . . 0.0 113.161 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -99.8 -15.37 18.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.654 174.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.8 p -127.11 170.21 12.6 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.73 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.529 ' O ' HD21 ' A' ' 9' ' ' LEU . 2.3 tm? -61.18 -53.44 56.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.611 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.427 ' CD2' HG22 ' A' ' 18' ' ' THR . 18.2 t-160 -56.36 -42.03 77.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 2' ' ' PRO . 29.1 mm-40 -58.94 -42.46 89.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.798 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.489 ' HG ' HD13 ' A' ' 61' ' ' LEU . 2.8 tm? -67.61 -43.07 81.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.529 HD21 ' O ' ' A' ' 5' ' ' LEU . 4.1 mm? -60.35 -41.46 93.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.98 -30.07 68.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -48.57 72.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.861 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' CG2' HG23 ' B' ' 56' ' ' THR . 36.8 pt -86.04 -15.39 10.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.653 -176.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.21 34.13 7.3 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.787 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.517 ' O ' HD11 ' A' ' 9' ' ' LEU . 2.2 mm? -123.22 32.38 5.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.955 0.407 . . . . 0.0 110.508 176.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 10.9 pt-20 -60.05 -18.86 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.752 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.0 -23.5 65.45 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.986 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -114.05 9.05 17.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.941 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.459 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 12.9 m -56.31 -47.7 78.18 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.545 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 14.0 t -61.87 -35.35 78.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.175 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -57.17 -54.52 45.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.947 0.403 . . . . 0.0 110.269 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.5 mm? -61.93 -50.91 70.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.142 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.2 -45.48 72.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.067 -175.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 19' ' ' SER . 68.6 mt -74.63 -28.82 61.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.446 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -92.37 10.31 30.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.009 0.433 . . . . 0.0 111.547 -175.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.41 -12.37 47.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.051 171.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.459 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 96.4 m-85 -83.27 69.92 10.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.357 0.598 . . . . 0.0 109.479 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -98.44 -10.56 23.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.653 -174.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.8 p -130.46 159.18 37.82 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.338 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.75 -27.3 68.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.461 0.648 . . . . 0.0 109.361 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.29 -33.5 76.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.826 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.7 -36.03 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.196 0.522 . . . . 0.0 109.932 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 57.0 t80 -64.91 -28.5 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.729 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.22 -8.99 50.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.902 -0.499 . . . . 0.0 110.831 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -101.34 -1.26 33.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.498 0.666 . . . . 0.0 109.639 175.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' A' ' 32' ' ' PHE . 2.0 tm? -73.74 115.53 13.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.028 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.428 ' C ' HD11 ' A' ' 55' ' ' LEU . 30.3 mmt180 -122.69 162.12 22.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.256 -172.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.8 tt0 -53.97 -44.81 71.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.908 0.385 . . . . 0.0 111.577 -173.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 21.0 m -62.14 -26.22 68.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.291 0.567 . . . . 0.0 110.472 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.739 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 51.1 m170 -75.78 -36.8 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 8.5 mp -61.88 -37.11 83.34 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.857 0.361 . . . . 0.0 110.1 174.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.8 m-20 -55.59 -40.89 72.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.958 172.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -70.87 -37.73 73.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.755 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 49.6 mt -80.21 -2.0 43.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.298 -177.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 t30 65.57 26.1 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.48 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -85.4 77.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' A' ' 46' ' ' MET . 5.0 mmt -95.37 28.53 2.86 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.44 -174.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.489 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 42.0 m-20 -92.7 98.8 2.4 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.283 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.459 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 72.3 Cg_exo -50.03 -54.97 4.58 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 123.386 2.724 . . . . 0.0 114.543 -167.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 48.4 mt-30 -68.31 -37.42 80.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.26 0.552 . . . . 0.0 110.389 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.489 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 25.6 m170 -66.26 -38.12 87.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.618 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.489 ' O ' HD21 ' A' ' 55' ' ' LEU . 48.7 mtp180 -55.02 -57.71 10.59 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.828 170.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB2' ' CG ' ' B' ' 53' ' ' LYS . . . -52.15 -40.75 61.84 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.473 -176.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.564 ' CG ' ' HB2' ' B' ' 52' ' ' ALA . 32.8 mtpt -64.83 -51.83 59.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.811 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.0 mt -54.19 -46.12 72.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.603 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.57 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -65.69 -41.24 92.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.26 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.558 HG22 ' O ' ' B' ' 53' ' ' LYS . 42.1 m -63.16 -39.37 94.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.153 0.502 . . . . 0.0 110.561 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.447 ' HB3' HD11 ' A' ' 8' ' ' LEU . . . -60.26 -47.75 84.67 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.938 175.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.28 79.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.173 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 6.2 mm-40 -60.51 -54.53 44.41 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.084 178.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.7 mp -71.67 -29.61 64.79 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.781 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' HG ' ' A' ' 8' ' ' LEU . 87.6 mt -69.44 -24.23 63.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.255 0.55 . . . . 0.0 110.49 175.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.426 HD23 HH22 ' A' ' 36' ' ' ARG . 52.2 tp -74.31 -43.67 55.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.587 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -91.14 -41.81 10.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' B' ' 2' ' ' PRO . 97.1 m-85 . . . . . 0 C--N 1.319 -0.734 0 CA-C-O 120.982 0.42 . . . . 0.0 110.765 -175.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . 0.425 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 22.1 Cg_exo . . . . . 0 CA--C 1.516 -0.396 0 CA-C-O 121.32 0.467 . . . . 0.0 113.152 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -99.5 -15.72 18.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.662 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 44.3 p -126.95 170.26 12.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.802 -176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.512 ' O ' HD21 ' B' ' 9' ' ' LEU . 2.3 tm? -61.33 -53.34 57.98 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.588 -177.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.432 ' CD2' HG22 ' B' ' 18' ' ' THR . 18.2 t-160 -56.38 -42.02 77.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -178.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -59.04 -42.38 90.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.722 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.501 ' HG ' HD13 ' B' ' 61' ' ' LEU . 2.8 tm? -67.48 -43.16 81.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.393 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.512 HD21 ' O ' ' B' ' 5' ' ' LEU . 4.1 mm? -60.35 -41.62 94.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.737 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.85 -30.3 68.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.891 0.377 . . . . 0.0 110.779 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -48.77 72.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.864 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.455 ' CG2' HG23 ' A' ' 56' ' ' THR . 36.7 pt -85.74 -15.75 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.743 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.54 34.08 7.19 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.892 174.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.505 ' O ' HD11 ' B' ' 9' ' ' LEU . 2.2 mm? -123.15 32.41 5.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.955 0.407 . . . . 0.0 110.507 176.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.46 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.1 pt-20 -60.08 -18.51 47.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.728 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.19 -23.45 65.6 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.054 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -114.24 9.05 16.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.875 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.46 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 12.0 m -56.27 -47.44 78.58 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.743 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.55 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 13.1 t -62.15 -35.02 77.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.211 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.1 m -57.71 -54.25 48.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.036 0.446 . . . . 0.0 110.272 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.5 mm? -61.76 -51.15 69.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.055 177.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.31 -45.09 72.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.095 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 19' ' ' SER . 68.1 mt -74.99 -28.61 60.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.03 0.443 . . . . 0.0 111.531 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -92.87 11.38 27.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.633 -175.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.95 -13.09 49.59 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.999 171.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.466 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.4 m-85 -82.99 69.8 9.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.389 0.614 . . . . 0.0 109.586 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -98.31 -10.36 24.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.71 -174.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 74.5 p -130.48 159.21 37.75 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.369 -177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.83 -27.05 67.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.438 0.637 . . . . 0.0 109.335 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.27 -34.2 77.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.563 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.28 -35.92 16.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.218 0.533 . . . . 0.0 109.888 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.469 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 56.8 t80 -64.88 -28.41 69.52 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.797 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.22 -9.16 51.72 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.898 -0.501 . . . . 0.0 110.844 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -101.09 -1.61 33.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.549 0.69 . . . . 0.0 109.675 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' B' ' 32' ' ' PHE . 2.0 tm? -73.4 115.44 12.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.185 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.428 ' C ' HD11 ' B' ' 55' ' ' LEU . 30.2 mmt180 -122.52 162.36 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.407 -172.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.442 ' N ' HD11 ' B' ' 55' ' ' LEU . 45.2 tt0 -54.19 -44.64 71.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.836 0.35 . . . . 0.0 111.62 -173.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' B' ' 41' ' ' ASN . 20.5 m -62.31 -26.25 68.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.319 0.581 . . . . 0.0 110.533 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.764 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 51.0 m170 -75.87 -36.41 59.57 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 8.6 mp -62.06 -37.01 83.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 120.862 0.363 . . . . 0.0 110.093 174.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 38' ' ' THR . 7.0 m-20 -55.45 -41.31 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.006 172.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -70.64 -37.62 73.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.744 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.764 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 48.4 mt -80.16 -2.11 43.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.359 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 t30 65.4 26.74 11.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.726 0.774 . . . . 0.0 110.456 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.4 mt -86.1 77.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.478 ' HE1' ' HA ' ' B' ' 46' ' ' MET . 4.9 mmt -95.33 28.44 2.89 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.439 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.518 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 40.0 m-20 -92.39 98.69 2.23 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.28 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.457 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 73.4 Cg_exo -50.0 -55.0 4.55 Favored 'Trans proline' 0 N--CA 1.474 0.348 0 C-N-CA 123.474 2.783 . . . . 0.0 114.428 -167.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.564 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 48.1 mt-30 -68.38 -37.42 80.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.196 0.522 . . . . 0.0 110.378 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.518 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 25.4 m170 -66.29 -38.16 87.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.643 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.509 ' O ' HD21 ' B' ' 55' ' ' LEU . 48.5 mtp180 -54.86 -57.88 9.84 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.801 170.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.564 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . . . -52.15 -40.64 61.68 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.461 -176.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.564 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 32.8 mtpt -64.9 -51.93 59.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.82 176.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 92.7 mt -54.11 -46.06 72.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.597 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.582 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.4 OUTLIER -65.7 -41.3 92.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.346 -179.611 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 53' ' ' LYS . 44.3 m -63.06 -39.29 94.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.511 . . . . 0.0 110.54 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.466 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.34 -47.74 84.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.941 175.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.23 79.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 6.0 mm-40 -60.66 -54.55 43.97 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.078 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.7 mp -71.49 -29.69 65.1 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.813 -177.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.501 HD13 ' HG ' ' B' ' 8' ' ' LEU . 86.8 mt -69.49 -24.23 63.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.147 0.499 . . . . 0.0 110.443 175.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.424 HD23 HH22 ' B' ' 36' ' ' ARG . 52.0 tp -74.29 -43.65 55.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.566 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -91.44 -41.33 10.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . 0.432 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 97.2 m-85 . . . . . 0 C--N 1.321 -0.672 0 CA-C-O 120.976 0.417 . . . . 0.0 110.811 -175.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.483 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 19.5 Cg_exo . . . . . 0 N--CA 1.461 -0.384 0 CA-C-O 121.105 0.377 . . . . 0.0 112.062 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -106.33 -12.13 15.78 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -121.51 164.92 16.42 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.594 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.528 ' O ' HD22 ' A' ' 9' ' ' LEU . 2.2 tm? -58.62 -53.53 57.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.94 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.51 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 11.9 t-160 -55.34 -43.53 75.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.491 -177.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.26 -41.45 88.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.156 0.503 . . . . 0.0 110.902 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.6 tm? -67.68 -43.97 78.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.016 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 5' ' ' LEU . 4.0 mm? -59.65 -40.35 87.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.575 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 49.8 mt-10 -63.26 -37.52 87.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.081 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 11' ' ' ARG . 22.5 ttt180 -70.33 -43.95 69.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -176.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.453 ' CG2' HG23 ' B' ' 56' ' ' THR . 43.2 pt -81.72 -13.91 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.104 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.2 25.87 13.42 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.1 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.422 ' O ' HD13 ' A' ' 9' ' ' LEU . 2.4 mm? -121.81 29.91 6.91 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.757 0.313 . . . . 0.0 110.755 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 9.7 pt-20 -60.0 -21.5 61.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.678 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.81 -23.05 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.127 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -109.17 3.82 22.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.721 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 24.7 m -52.78 -47.89 67.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.907 0.384 . . . . 0.0 111.091 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.566 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.5 m -60.07 -39.94 87.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.628 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.443 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 32.7 m -56.38 -49.53 74.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 0.0 110.552 177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.1 mm? -61.69 -54.19 46.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.986 176.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 27' ' ' GLN . 20.7 tp -51.06 -49.49 60.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.749 -177.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 19' ' ' SER . 97.5 mt -65.16 -35.14 80.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -91.22 14.46 14.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.107 0.479 . . . . 0.0 111.588 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -7.73 50.59 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.112 170.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.47 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 94.5 m-85 -87.44 75.6 9.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.534 0.683 . . . . 0.0 109.615 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 22' ' ' LEU . 40.8 mt-30 -97.94 -18.55 18.59 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.671 -173.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 p -129.14 168.93 15.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.728 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.16 -25.07 65.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 0.0 109.603 174.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 43.2 mt-10 -71.3 -25.22 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.542 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 47.8 m-20 -83.42 -46.27 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.36 0.6 . . . . 0.0 109.638 173.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.17 -25.31 68.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.986 -173.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.4 ptpt -66.86 -9.83 41.81 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.027 -0.421 . . . . 0.0 111.691 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -108.64 8.02 26.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.346 0.593 . . . . 0.0 110.269 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' A' ' 40' ' ' LEU . 3.2 tm? -71.22 125.88 28.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.697 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.491 ' C ' HD12 ' A' ' 55' ' ' LEU . 35.6 mmt180 -124.59 165.76 17.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -177.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.543 ' N ' HD12 ' A' ' 55' ' ' LEU . 44.4 tt0 -64.8 -37.49 87.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.953 0.406 . . . . 0.0 110.153 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.0 m -58.17 -31.09 66.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.948 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.762 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 25.5 m170 -75.96 -35.8 59.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.185 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.471 HD21 ' HG2' ' A' ' 51' ' ' ARG . 4.5 mp -64.09 -32.91 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.816 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -57.81 -41.98 83.31 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.72 -35.56 70.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.71 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 47.3 mt -79.78 -2.05 41.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.044 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.5 t30 67.64 21.25 9.42 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.609 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.404 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 60.6 mt -87.82 75.85 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.577 0.704 . . . . 0.0 109.203 177.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.458 ' HE3' ' HA ' ' A' ' 46' ' ' MET . 2.8 mmt -82.31 -9.13 59.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.793 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.535 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 39.1 m-20 -50.58 105.63 0.54 Allowed Pre-proline 0 C--O 1.223 -0.295 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.353 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.96 -50.67 5.84 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.26 2.64 . . . . 0.0 114.097 -171.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 53.2 mt-30 -71.25 -36.13 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 59.1 m170 -66.19 -41.53 90.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.798 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.471 ' HG2' HD21 ' A' ' 40' ' ' LEU . 51.1 mtp180 -53.61 -54.79 32.55 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.695 170.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.507 ' HB3' ' CG ' ' B' ' 53' ' ' LYS . . . -51.13 -43.23 61.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.399 -177.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 26.4 mtpt -68.54 -50.74 49.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.93 178.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.6 mt -54.83 -46.04 74.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.841 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -67.09 -35.68 80.32 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.451 -179.018 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.519 HG22 ' O ' ' B' ' 53' ' ' LYS . 36.0 m -67.88 -41.01 83.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.164 0.506 . . . . 0.0 110.138 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HA ' HD23 ' B' ' 60' ' ' LEU . . . -61.09 -45.78 93.3 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.048 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.72 92.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.981 177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -57.28 -55.29 36.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.29 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 57' ' ' ALA . 11.3 mp -72.61 -26.88 61.85 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.742 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.439 ' O ' ' HE2' ' A' ' 33' ' ' LYS . 72.0 mt -73.94 -24.02 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.805 -0.559 . . . . 0.0 110.824 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.7 tp -76.14 -33.69 59.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.788 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -103.72 -44.16 5.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.092 0.472 . . . . 0.0 112.019 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.681 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 86.6 m-85 . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.06 -173.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . 0.496 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 19.8 Cg_exo . . . . . 0 N--CA 1.46 -0.446 0 CA-C-O 121.025 0.344 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -106.05 -12.05 15.92 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.7 p -121.58 164.95 16.42 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.6 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.526 ' O ' HD22 ' B' ' 9' ' ' LEU . 2.2 tm? -58.77 -53.48 57.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.858 -176.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.523 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 11.8 t-160 -55.14 -43.57 74.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.607 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.58 -40.85 88.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.08 0.467 . . . . 0.0 110.957 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.439 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.6 tm? -68.11 -43.91 77.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.932 -178.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.526 HD22 ' O ' ' B' ' 5' ' ' LEU . 4.0 mm? -59.75 -40.41 88.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.611 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 49.7 mt-10 -63.39 -37.36 86.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.009 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -70.32 -44.26 68.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.018 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.444 ' CG2' HG23 ' A' ' 56' ' ' THR . 43.0 pt -81.53 -13.73 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.152 -177.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.91 25.97 13.69 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.105 173.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.414 ' O ' HD13 ' B' ' 9' ' ' LEU . 2.4 mm? -121.71 29.71 7.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.714 0.293 . . . . 0.0 110.775 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.418 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 9.9 pt-20 -59.97 -21.26 61.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.748 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.99 -23.02 67.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.15 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -109.14 3.9 22.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.626 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.418 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 24.9 m -53.02 -47.59 68.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.809 0.338 . . . . 0.0 111.042 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.566 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 10.8 m -60.54 -39.88 89.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.555 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 35.7 m -56.19 -49.61 73.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.597 177.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.1 mm? -61.66 -54.06 47.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.999 176.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 27' ' ' GLN . 21.1 tp -51.15 -49.34 61.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.74 -177.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 19' ' ' SER . 98.2 mt -65.33 -35.27 80.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.381 -177.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -91.04 14.46 13.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.633 -175.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.83 -7.84 49.79 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.619 -0.801 . . . . 0.0 113.024 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.476 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 94.7 m-85 -87.35 75.68 9.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.594 0.712 . . . . 0.0 109.609 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' B' ' 22' ' ' LEU . 41.0 mt-30 -97.88 -18.85 18.46 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.536 -173.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 62.3 p -128.91 169.17 14.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.65 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.27 -25.05 65.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.404 0.621 . . . . 0.0 109.614 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.451 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 43.4 mt-10 -71.38 -24.94 62.17 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.527 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.445 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 50.1 m-20 -83.62 -46.32 12.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.31 0.576 . . . . 0.0 109.582 173.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -64.11 -25.23 68.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.177 -0.92 . . . . 0.0 112.078 -173.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.4 ptpt -67.02 -9.67 41.51 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.07 -0.394 . . . . 0.0 111.666 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -108.81 8.27 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.462 0.649 . . . . 0.0 110.278 176.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' B' ' 40' ' ' LEU . 3.2 tm? -71.3 126.05 28.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.616 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.499 ' C ' HD12 ' B' ' 55' ' ' LEU . 35.6 mmt180 -124.73 165.73 17.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.998 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.541 ' N ' HD12 ' B' ' 55' ' ' LEU . 44.2 tt0 -65.08 -37.3 87.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.997 0.427 . . . . 0.0 110.065 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 14.5 m -58.05 -31.25 66.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.986 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.743 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 26.5 m170 -75.97 -35.91 59.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.126 -179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.462 HD21 ' HG2' ' B' ' 51' ' ' ARG . 4.4 mp -63.93 -32.92 74.62 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.779 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.01 -41.73 83.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 172.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.01 -35.08 69.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.851 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 47.3 mt -80.22 -1.86 42.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.948 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 3.5 t30 67.84 20.98 9.22 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.52 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.41 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 61.1 mt -87.93 76.01 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 177.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.455 ' HA ' ' HE3' ' B' ' 46' ' ' MET . 2.8 mmt -82.32 -9.42 59.48 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.865 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.539 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 34.0 m-20 -50.29 105.66 0.54 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.452 176.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.9 -50.91 5.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.373 2.716 . . . . 0.0 113.996 -171.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.532 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 53.6 mt-30 -71.41 -35.86 71.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.51 . . . . 0.0 110.037 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.539 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 59.0 m170 -66.28 -41.83 89.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.705 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.462 ' HG2' HD21 ' B' ' 40' ' ' LEU . 51.0 mtp180 -53.35 -54.76 31.96 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.731 170.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.522 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . . . -51.02 -43.46 60.88 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.506 -177.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 26.3 mtpt -68.44 -50.7 50.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.914 178.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.3 mt -54.76 -46.14 74.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.924 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.541 HD12 ' N ' ' B' ' 37' ' ' GLU . 0.5 OUTLIER -67.1 -35.62 80.17 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.446 -179.099 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 53' ' ' LYS . 36.3 m -67.78 -41.17 83.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.18 0.515 . . . . 0.0 110.131 178.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.463 ' HA ' HD23 ' A' ' 60' ' ' LEU . . . -60.96 -45.87 93.02 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.016 176.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.65 93.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.921 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.43 -55.09 39.32 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.32 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 57' ' ' ALA . 11.3 mp -72.55 -27.01 61.95 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.792 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.449 ' O ' ' HE2' ' B' ' 33' ' ' LYS . 71.4 mt -73.85 -24.04 59.7 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.795 -0.566 . . . . 0.0 110.853 175.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 46.4 tp -76.22 -33.36 59.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.706 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -104.09 -44.24 5.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.242 0.544 . . . . 0.0 112.068 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . 0.681 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 87.0 m-85 . . . . . 0 C--N 1.318 -0.799 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.003 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.484 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 15.7 Cg_exo . . . . . 0 N--CA 1.46 -0.494 0 CA-C-O 121.148 0.395 . . . . 0.0 112.037 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -87.14 -18.72 29.77 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.713 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 p -123.81 165.02 18.04 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.824 -177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.538 HD22 ' CD2' ' A' ' 32' ' ' PHE . 2.3 tm? -60.02 -47.26 86.57 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.857 -176.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.2 -41.44 62.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.039 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.6 -32.21 67.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.641 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.484 ' HG ' HD13 ' A' ' 61' ' ' LEU . 2.8 tm? -70.04 -38.1 75.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.537 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -61.66 -36.64 81.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.09 -32.0 71.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.929 0.395 . . . . 0.0 110.39 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -38.78 92.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.973 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.535 ' CG2' HG22 ' B' ' 56' ' ' THR . 38.0 pt -98.06 -12.96 8.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.899 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.33 31.93 11.1 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.71 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.509 ' O ' HD13 ' A' ' 9' ' ' LEU . 2.3 mm? -122.67 31.45 6.08 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 120.814 0.34 . . . . 0.0 110.757 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.511 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 15.1 pt-20 -61.02 -17.05 50.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.511 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.4 -22.91 65.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.962 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -117.52 11.69 13.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.652 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.511 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 26.4 m -54.97 -47.76 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.777 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.4 p -61.66 -36.8 81.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.626 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.404 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 24.4 m -57.05 -53.07 62.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.298 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -63.02 -52.39 63.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.185 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.34 -47.39 69.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.844 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.9 mt -71.72 -29.41 64.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.675 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -89.78 9.74 26.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.993 0.425 . . . . 0.0 111.564 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.36 -7.27 39.88 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.066 171.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.48 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 85.0 m-85 -87.18 80.32 8.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.348 0.594 . . . . 0.0 109.722 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -104.0 -22.35 13.47 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.03 -173.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -122.62 168.29 12.36 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.403 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.91 -28.51 68.99 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.433 0.635 . . . . 0.0 109.665 176.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.7 -26.36 64.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.892 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -80.62 -47.75 13.65 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CD2' HD22 ' A' ' 5' ' ' LEU . 48.6 t80 -63.18 -27.51 69.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.024 -173.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -66.71 -8.71 29.85 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.992 -0.443 . . . . 0.0 111.446 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -106.04 5.12 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.349 0.595 . . . . 0.0 110.16 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD13 HD12 ' A' ' 40' ' ' LEU . 2.2 tm? -74.78 115.75 14.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.023 177.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -119.56 166.17 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 -174.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.686 ' N ' HD11 ' A' ' 55' ' ' LEU . 34.4 tt0 -61.25 -40.63 94.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.885 0.374 . . . . 0.0 111.071 -173.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.6 m -59.55 -26.94 65.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.473 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.734 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.0 m170 -76.93 -34.93 57.63 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.76 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 HD12 HD13 ' A' ' 35' ' ' LEU . 8.7 mp -63.59 -31.61 72.83 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.603 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.76 -34.0 75.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.895 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -77.89 -37.05 48.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.317 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 50.8 mt -76.36 -8.34 56.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.13 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 t30 68.77 24.66 6.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.378 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -84.89 81.97 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.358 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.445 ' HE3' ' HA ' ' A' ' 46' ' ' MET . 32.1 mmt -93.75 11.31 29.59 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.236 -174.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.53 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 38.6 m-20 -77.09 101.86 0.71 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.792 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.44 -56.36 2.95 Favored 'Trans proline' 0 N--CA 1.474 0.369 0 C-N-CA 123.277 2.651 . . . . 0.0 114.242 -166.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.4 mt-30 -68.8 -33.06 73.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.233 0.539 . . . . 0.0 110.297 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.496 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 24.9 m170 -68.58 -36.53 78.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.861 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 47' ' ' ASP . 48.2 mtp180 -57.66 -53.0 63.14 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.565 171.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.519 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.92 -41.6 67.85 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.465 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.606 ' O ' HG21 ' B' ' 56' ' ' THR . 28.8 mtpt -65.37 -51.7 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.727 177.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.4 mt -53.97 -46.26 71.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.491 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.686 HD11 ' N ' ' A' ' 37' ' ' GLU . 2.8 mm? -61.11 -45.22 95.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.315 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.602 HG21 ' O ' ' B' ' 53' ' ' LYS . 42.2 m -61.73 -40.82 96.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -178.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.43 ' HA ' HD21 ' B' ' 60' ' ' LEU . . . -60.09 -44.03 95.08 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.014 176.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.35 95.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 6.5 mm-40 -57.31 -48.36 79.13 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.634 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' B' ' 57' ' ' ALA . 8.8 mp -71.62 -48.86 45.16 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.654 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.484 HD13 ' HG ' ' A' ' 8' ' ' LEU . 85.0 mt -56.82 -28.22 61.18 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.861 0.363 . . . . 0.0 111.566 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.6 -35.92 77.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.701 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -108.41 -33.14 7.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.33 0.586 . . . . 0.0 111.575 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.49 ' OH ' ' HB2' ' B' ' 2' ' ' PRO . 97.5 m-85 . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.143 -171.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . 0.49 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 15.5 Cg_exo . . . . . 0 N--CA 1.459 -0.536 0 CA-C-O 121.08 0.367 . . . . 0.0 111.886 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -87.43 -18.78 29.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.789 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.8 p -124.0 165.0 18.2 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.812 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.543 HD22 ' CD2' ' B' ' 32' ' ' PHE . 2.3 tm? -60.41 -46.97 88.08 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.838 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.45 -41.17 63.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.99 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.71 -32.49 67.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.545 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.489 ' HG ' HD13 ' B' ' 61' ' ' LEU . 2.8 tm? -69.72 -38.19 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.464 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -61.61 -36.63 81.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.15 -32.0 71.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.971 0.415 . . . . 0.0 110.485 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.76 92.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.537 ' CG2' HG22 ' A' ' 56' ' ' THR . 37.8 pt -98.01 -13.11 8.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.878 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.39 31.8 11.21 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.73 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.517 ' O ' HD13 ' B' ' 9' ' ' LEU . 2.3 mm? -122.8 31.57 6.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.889 0.376 . . . . 0.0 110.691 178.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.504 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 15.2 pt-20 -60.83 -16.94 46.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.49 177.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.13 -22.18 65.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.11 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -117.9 11.56 13.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.584 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.504 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 26.2 m -54.88 -47.53 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.788 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 20.0 p -61.97 -36.54 81.75 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.629 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.1 m -57.16 -53.19 60.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.336 178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -63.01 -52.19 63.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.228 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 tp -53.55 -47.29 70.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.784 -175.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 19' ' ' SER . 91.6 mt -71.78 -29.71 64.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.595 -177.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -89.49 9.68 25.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.97 0.414 . . . . 0.0 111.507 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.43 -6.96 39.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.077 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.471 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 85.2 m-85 -87.39 80.42 8.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.344 0.592 . . . . 0.0 109.706 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -103.99 -22.65 13.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.029 -173.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -122.41 167.85 12.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.393 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.54 -28.57 69.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.459 0.647 . . . . 0.0 109.693 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.69 -26.34 64.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.89 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -80.68 -47.99 13.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.356 0.598 . . . . 0.0 109.569 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . 0.543 ' CD2' HD22 ' B' ' 5' ' ' LEU . 48.2 t80 -62.9 -27.42 69.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.021 -173.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.86 -9.04 33.45 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.359 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -105.72 5.26 30.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.431 0.634 . . . . 0.0 110.283 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.451 HD13 HD12 ' B' ' 40' ' ' LEU . 2.2 tm? -74.98 116.05 15.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.955 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -119.85 166.16 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.02 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.696 ' N ' HD11 ' B' ' 55' ' ' LEU . 34.1 tt0 -61.23 -40.75 95.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.909 0.385 . . . . 0.0 111.108 -173.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 51.2 m -59.51 -26.65 65.48 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.464 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.725 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 23.1 m170 -77.22 -35.09 55.85 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.693 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.451 HD12 HD13 ' B' ' 35' ' ' LEU . 8.7 mp -63.43 -31.59 72.79 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.812 0.339 . . . . 0.0 110.69 177.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.85 -33.99 75.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.832 174.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -77.98 -36.98 48.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.251 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 49.3 mt -76.46 -8.19 56.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.226 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 t30 68.68 24.74 6.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.373 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.6 mt -85.06 82.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.251 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.45 ' HA ' ' HE3' ' B' ' 46' ' ' MET . 31.9 mmt -93.66 10.95 30.69 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.166 -174.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.534 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 35.1 m-20 -76.55 101.62 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.807 176.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' B' ' 46' ' ' MET . 51.6 Cg_exo -52.31 -56.15 3.16 Favored 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 123.252 2.635 . . . . 0.0 114.293 -166.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 52.4 mt-30 -69.27 -32.8 72.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.268 0.556 . . . . 0.0 110.214 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . 0.482 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 24.9 m170 -68.59 -36.72 79.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.823 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' B' ' 47' ' ' ASP . 49.3 mtp180 -57.51 -52.99 63.13 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.624 171.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.535 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -54.0 -41.68 68.23 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.348 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.602 ' O ' HG21 ' A' ' 56' ' ' THR . 28.8 mtpt -65.29 -51.68 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.789 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -54.03 -46.17 71.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.513 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.696 HD11 ' N ' ' B' ' 37' ' ' GLU . 2.8 mm? -61.19 -45.21 95.55 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.202 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.606 HG21 ' O ' ' A' ' 53' ' ' LYS . 41.6 m -61.8 -40.79 96.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.442 ' HA ' HD21 ' A' ' 60' ' ' LEU . . . -60.18 -44.01 95.4 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.004 176.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.6 95.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 6.3 mm-40 -56.93 -48.65 77.78 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.542 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.43 HD21 ' HA ' ' A' ' 57' ' ' ALA . 8.8 mp -71.44 -48.99 46.01 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.635 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.489 HD13 ' HG ' ' B' ' 8' ' ' LEU . 84.2 mt -56.86 -28.11 61.28 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.53 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.77 -35.81 77.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.71 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -108.28 -33.3 7.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.603 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . 0.484 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 97.5 m-85 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.152 -171.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo . . . . . 0 N--CA 1.458 -0.588 0 CA-C-O 120.98 0.325 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -108.56 -10.0 15.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.9 p -130.53 169.07 16.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.353 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.4 tm? -60.85 -51.19 70.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -176.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.468 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 12.7 t-80 -54.82 -44.7 74.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.473 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.52 -36.41 82.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.48 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HG ' HD12 ' A' ' 61' ' ' LEU . 2.9 tm? -66.28 -44.28 84.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.007 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.4 mm? -60.84 -39.56 89.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.501 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 48.4 mt-10 -65.55 -37.57 87.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.042 0.448 . . . . 0.0 110.486 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -41.37 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.34 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CG2' HG21 ' B' ' 56' ' ' THR . 39.4 pt -92.68 -15.58 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.906 -177.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.97 24.41 15.2 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.905 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 9' ' ' LEU . 3.4 mm? -119.28 30.27 7.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.974 0.416 . . . . 0.0 110.113 177.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 9' ' ' LEU . 11.3 pt-20 -57.35 -21.26 34.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.771 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.39 -21.05 65.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.512 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -115.86 14.41 16.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.86 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.8 m -55.79 -45.91 78.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.183 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.561 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 22.0 t -64.27 -35.82 82.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.26 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 m -57.51 -52.27 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.211 0.529 . . . . 0.0 110.072 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.4 mm? -63.71 -49.87 71.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.97 177.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.32 -48.94 65.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.69 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 19' ' ' SER . 88.9 mt -67.43 -31.48 71.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.387 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -92.25 13.71 18.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.045 0.45 . . . . 0.0 111.524 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.34 -12.56 58.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.74 171.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 91.0 m-85 -82.78 70.82 9.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 109.651 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -100.45 -7.87 23.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.507 -174.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.5 p -132.4 162.88 29.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.168 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.52 -28.78 67.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.372 0.606 . . . . 0.0 109.49 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 1.4 mp0 -68.23 -28.86 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.204 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -89.33 -39.95 13.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 109.943 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.9 -29.47 70.64 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.7 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 15.0 ptpt -65.78 -5.33 8.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.166 -0.333 . . . . 0.0 111.482 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -106.67 6.02 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 109.871 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.519 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 3.3 tm? -74.63 126.66 31.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.222 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' A' ' 35' ' ' LEU . 21.6 mmt180 -128.75 171.4 12.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HB2' HD21 ' A' ' 55' ' ' LEU . 43.6 tt0 -60.85 -43.17 98.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.789 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -56.68 -28.92 61.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.474 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.731 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 46.7 m170 -79.03 -29.78 43.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.845 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.618 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 7.2 mp -71.07 -26.64 63.16 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 176.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.408 ' OD1' ' HE3' ' A' ' 46' ' ' MET . 82.2 m-20 -60.1 -35.68 75.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -77.35 -34.14 55.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.547 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 45.2 mt -80.58 -6.46 58.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.112 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 67.74 31.05 6.11 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.559 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -101.31 82.65 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.771 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 31.3 mmt -86.07 -10.47 54.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.118 -177.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -60.61 110.62 3.07 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.463 178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -56.85 -49.26 15.06 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.059 3.173 . . . . 0.0 114.129 -170.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.641 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 46.6 mt-30 -68.09 -38.8 82.74 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -64.34 -40.86 96.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.618 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 46.0 mtp180 -57.12 -56.91 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.59 172.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HB2' ' CG ' ' B' ' 53' ' ' LYS . . . -54.55 -41.14 69.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.54 -176.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 26.2 mtpt -67.84 -53.29 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.227 -0.189 . . . . 0.0 111.013 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.1 mt -55.18 -43.89 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.165 0.507 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -64.18 -49.62 71.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.726 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.547 HG23 ' O ' ' B' ' 53' ' ' LYS . 58.7 m -61.72 -39.14 90.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.133 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -59.17 -48.69 80.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.809 176.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.64 91.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.299 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 24.3 mm-40 -58.67 -54.58 45.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.376 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' B' ' 57' ' ' ALA . 6.8 mp -65.31 -44.63 87.25 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.731 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.504 HD12 ' HG ' ' A' ' 8' ' ' LEU . 91.2 mt -61.09 -21.94 64.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.896 0.379 . . . . 0.0 111.732 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.15 -30.62 68.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.303 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -107.52 -37.28 6.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.789 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.379 -174.173 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 N--CA 1.458 -0.567 0 CA-C-O 121.013 0.339 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -108.61 -10.16 15.24 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 23.5 p -130.31 169.19 15.77 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.354 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.493 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -60.77 -51.21 70.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.988 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.471 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 12.9 t-80 -54.93 -44.6 74.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.392 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.43 -36.56 82.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.666 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.503 ' HG ' HD12 ' B' ' 61' ' ' LEU . 2.9 tm? -66.28 -44.19 84.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.986 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.493 HD23 ' O ' ' B' ' 5' ' ' LEU . 4.4 mm? -60.97 -39.52 89.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.477 177.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 48.6 mt-10 -65.55 -37.59 87.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.539 176.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.27 97.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.307 -177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.462 ' CG2' HG21 ' A' ' 56' ' ' THR . 39.7 pt -92.86 -15.55 8.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.912 -177.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.11 24.18 15.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.009 175.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . 0.466 ' O ' HD13 ' B' ' 9' ' ' LEU . 3.4 mm? -119.09 30.35 7.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.917 0.389 . . . . 0.0 110.158 177.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 11.3 pt-20 -57.34 -21.67 36.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.891 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.97 -21.33 64.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.422 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -115.61 14.31 16.48 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.919 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.4 m -55.63 -46.12 77.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.05 0.453 . . . . 0.0 110.196 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 22.5 t -64.21 -35.75 81.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.248 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -57.59 -52.3 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.107 0.479 . . . . 0.0 110.109 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.492 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.4 mm? -63.48 -50.04 71.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.969 177.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.3 -48.89 65.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.732 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.5 mt -67.44 -31.41 71.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.442 -177.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -92.26 12.96 20.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.0 0.428 . . . . 0.0 111.561 -175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.24 57.72 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.832 171.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.492 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 91.4 m-85 -83.11 70.74 10.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.389 0.614 . . . . 0.0 109.6 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -100.25 -8.02 23.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.447 -174.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 70.5 p -132.5 162.89 30.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.961 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.47 -29.02 67.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.326 0.584 . . . . 0.0 109.449 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.54 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 1.3 mp0 -68.22 -28.69 67.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.314 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -89.34 -40.17 12.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.077 0.465 . . . . 0.0 109.935 176.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -63.62 -29.7 70.91 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.714 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 15.0 ptpt -65.62 -5.48 8.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.144 -0.348 . . . . 0.0 111.376 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -106.54 5.79 29.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.578 0.704 . . . . 0.0 109.89 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.523 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 3.3 tm? -74.28 126.87 31.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.257 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.523 ' HD3' ' O ' ' B' ' 35' ' ' LEU . 21.5 mmt180 -129.15 171.08 12.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.638 -177.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.423 ' HB2' HD21 ' B' ' 55' ' ' LEU . 43.1 tt0 -60.54 -43.26 97.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.972 0.415 . . . . 0.0 110.773 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m -56.48 -28.89 60.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.649 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . 0.73 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 47.4 m170 -78.85 -30.15 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.854 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.622 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 7.3 mp -70.91 -26.76 63.35 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 176.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -59.91 -35.42 74.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.636 0.731 . . . . 0.0 109.071 171.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.08 -33.5 50.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.496 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 46.3 mt -80.97 -6.6 58.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.062 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.03 31.05 5.69 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.365 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.8 mt -101.17 82.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.851 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' MET . . . . . 0.482 ' HA ' ' HE2' ' B' ' 46' ' ' MET . 31.4 mmt -86.13 -10.2 55.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.074 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 19.0 m-20 -60.85 110.58 3.08 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.345 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 36.6 Cg_exo -56.7 -49.24 15.28 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.96 3.107 . . . . 0.0 114.216 -170.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.646 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 46.5 mt-30 -68.16 -38.64 82.34 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.083 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -64.53 -40.71 96.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.622 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 46.3 mtp180 -57.19 -56.82 16.81 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.562 172.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . 0.448 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . . . -54.62 -41.16 69.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.51 -176.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.646 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 26.3 mtpt -67.94 -53.11 28.75 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.256 -0.178 . . . . 0.0 110.988 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 86.0 mt -55.4 -43.76 75.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . 0.589 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.2 OUTLIER -64.24 -49.58 71.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.851 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 53' ' ' LYS . 59.1 m -61.68 -39.07 90.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.002 0.43 . . . . 0.0 111.139 -178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' B' ' 8' ' ' LEU . . . -59.18 -48.7 80.64 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.782 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.39 90.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.265 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 23.5 mm-40 -58.77 -54.55 45.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.434 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 57' ' ' ALA . 6.7 mp -65.43 -44.52 87.06 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.698 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.503 HD12 ' HG ' ' B' ' 8' ' ' LEU . 91.5 mt -61.18 -21.78 64.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.839 0.352 . . . . 0.0 111.685 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 35.2 tp -69.16 -30.82 69.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.201 0.524 . . . . 0.0 110.285 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -107.33 -37.54 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.755 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.349 -174.037 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 112.426 -0.269 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -70.38 136.83 32.27 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.735 2.29 . . . . 0.0 111.608 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.36 -12.55 12.38 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 p -126.53 167.79 15.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.626 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.425 ' O ' HD22 ' A' ' 9' ' ' LEU . 2.5 tm? -58.77 -52.01 67.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.321 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.523 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 11.4 t-80 -51.49 -46.49 63.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.681 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.53 -33.87 76.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.986 0.422 . . . . 0.0 110.998 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 57' ' ' ALA . 2.8 tm? -68.33 -42.0 79.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.104 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.447 HD11 ' O ' ' A' ' 14' ' ' LEU . 4.5 mm? -62.18 -38.42 89.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.281 176.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 45.0 mt-10 -64.94 -33.33 75.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.221 0.534 . . . . 0.0 110.464 176.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.582 ' NH2' HD22 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -66.43 -42.27 87.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.467 -176.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.509 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.0 pt -94.51 -9.13 9.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.023 -175.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.18 22.21 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.7 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' HD11 ' A' ' 9' ' ' LEU . 2.7 mm? -121.2 29.69 7.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.694 0.283 . . . . 0.0 110.564 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.455 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.4 pt-20 -63.51 -14.18 48.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.008 0.432 . . . . 0.0 110.492 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.55 -23.29 66.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.573 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -114.25 9.5 17.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.739 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.455 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 24.1 m -54.89 -46.12 74.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 110.405 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.581 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.0 m -62.81 -38.68 91.64 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.189 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -57.05 -51.53 68.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.059 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.8 mm? -59.73 -52.88 63.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.028 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 tp -53.57 -47.91 69.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.489 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 19' ' ' SER . 95.5 mt -67.88 -28.23 67.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.342 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 30.6 m-80 -93.21 12.39 24.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -178.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.68 1.54 57.55 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.025 171.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.463 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 99.1 m-85 -92.94 85.39 5.13 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.326 0.584 . . . . 0.0 109.599 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.73 -17.84 14.26 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.593 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.8 p -127.58 167.67 16.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.738 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.71 -27.49 67.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 43.5 mt-10 -69.45 -27.73 65.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.651 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -81.11 -45.89 15.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.302 0.572 . . . . 0.0 109.766 174.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.46 -29.94 70.67 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.743 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.8 ptpt -65.43 -9.98 30.02 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.115 -0.366 . . . . 0.0 111.08 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -100.02 -4.5 29.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.135 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.5 tm? -67.53 126.62 29.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.303 -177.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -126.11 169.86 12.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.297 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.58 -41.28 96.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.186 0.517 . . . . 0.0 109.994 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 7.9 m -58.57 -25.24 62.32 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.297 177.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.412 ' O ' HD11 ' A' ' 43' ' ' LEU . 34.9 m170 -79.07 -40.7 30.55 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.486 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.492 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -59.6 -31.82 69.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.723 175.519 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 38' ' ' THR . 7.4 m-20 -56.49 -41.84 77.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.203 171.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.03 -41.06 62.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.794 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.422 ' HG ' ' CG ' ' A' ' 24' ' ' ASN . 10.8 mp -73.68 -5.7 42.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.11 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.48 29.92 10.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.391 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 65.6 mt -93.32 79.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.792 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.465 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 2.9 mmt -88.32 1.54 54.39 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.352 -176.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.561 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 71.2 m-20 -59.05 102.78 0.32 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.446 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 41.2 Cg_exo -54.48 -56.45 2.48 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.897 2.398 . . . . 0.0 114.226 -165.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.552 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 43.3 mt-30 -72.57 -32.14 65.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.912 0.387 . . . . 0.0 110.707 -178.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 51.3 m170 -64.82 -41.31 95.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.601 ' O ' HD21 ' A' ' 55' ' ' LEU . 39.4 mtp180 -53.54 -56.36 17.75 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.98 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.459 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.6 -42.33 61.88 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.25 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.592 ' O ' HG22 ' B' ' 56' ' ' THR . 31.0 mtpt -65.73 -52.72 48.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -53.87 -45.69 71.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.439 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.643 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.45 -47.03 83.56 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.987 -179.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.572 HG22 ' O ' ' B' ' 53' ' ' LYS . 45.1 m -61.24 -40.86 95.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.112 0.482 . . . . 0.0 110.972 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.537 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -59.62 -45.81 90.85 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.973 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.26 94.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.248 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 8.6 mm-40 -58.3 -53.02 62.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.356 0.598 . . . . 0.0 110.215 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.453 HD21 ' HA ' ' B' ' 57' ' ' ALA . 8.3 mp -69.67 -38.76 77.17 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.974 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 56.4 mt -63.35 -23.99 67.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 118.267 0.485 . . . . 0.0 111.375 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.558 HD22 ' NH2' ' B' ' 11' ' ' ARG . 30.2 tp -72.66 -28.3 62.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.731 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -110.45 -37.67 5.43 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.01 44.79 1.0 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.314 -174.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -82.12 41.99 0.71 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.184 0.516 . . . . 0.0 110.955 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p 49.63 38.09 14.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.337 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.19 32.78 4.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.131 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.4 m 64.34 169.97 0.18 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.175 0.59 . . . . 0.0 111.74 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.657 -0.687 . . . . 0.0 111.574 -174.865 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 112.389 -0.285 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -70.65 136.62 31.06 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.705 2.27 . . . . 0.0 111.691 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.27 -12.2 12.48 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 33.5 p -126.88 167.66 15.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.599 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.423 ' O ' HD22 ' B' ' 9' ' ' LEU . 2.5 tm? -58.45 -52.0 67.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.515 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.515 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 11.3 t-80 -51.62 -46.36 63.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.693 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -64.53 -33.97 77.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.0 0.429 . . . . 0.0 110.954 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.471 HD13 ' HB3' ' B' ' 57' ' ' ALA . 2.8 tm? -68.2 -41.93 80.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.144 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.442 HD11 ' O ' ' B' ' 14' ' ' LEU . 4.5 mm? -62.4 -38.32 89.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.267 176.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 45.1 mt-10 -64.66 -34.05 77.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.558 ' NH2' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.68 -42.7 90.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.611 -176.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.512 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.2 pt -93.89 -9.92 9.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.927 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.07 28.5 20.48 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.657 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.442 ' O ' HD11 ' B' ' 9' ' ' LEU . 2.7 mm? -121.46 30.01 6.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.629 0.252 . . . . 0.0 110.582 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.452 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.6 pt-20 -63.58 -14.47 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.961 0.41 . . . . 0.0 110.411 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.12 -23.53 66.6 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.656 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -114.24 9.45 17.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.695 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 24.1 m -54.75 -46.22 74.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.332 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 13.1 m -62.72 -38.92 92.38 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.23 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -56.83 -51.6 68.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.2 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.8 mm? -59.75 -52.65 64.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.122 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 tp -53.79 -47.73 70.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.532 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 19' ' ' SER . 95.5 mt -67.85 -28.36 67.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.365 -177.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.419 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 30.6 m-80 -93.26 12.51 24.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.209 0.528 . . . . 0.0 111.172 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.74 1.3 57.51 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.082 171.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.462 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 98.7 m-85 -92.7 85.57 5.28 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.371 0.605 . . . . 0.0 109.687 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.91 -17.46 14.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.468 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 65.7 p -127.89 167.36 16.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.91 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.38 -27.98 68.28 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.413 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 43.2 mt-10 -69.15 -27.71 65.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.576 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -81.16 -45.63 16.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -65.72 -30.04 70.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.792 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.9 ptpt -65.39 -9.85 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.034 -0.416 . . . . 0.0 111.135 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -100.05 -4.44 29.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.313 0.578 . . . . 0.0 110.084 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.411 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.5 tm? -67.81 126.49 29.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.291 -177.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -126.17 169.86 12.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.265 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.61 -41.15 96.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.129 0.49 . . . . 0.0 109.93 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' B' ' 41' ' ' ASN . 8.3 m -58.89 -25.09 63.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.396 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -79.07 -40.83 30.22 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.419 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.511 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 0.2 OUTLIER -59.5 -31.98 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.748 175.516 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' B' ' 38' ' ' THR . 7.2 m-20 -56.68 -41.38 77.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.155 171.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -74.59 -40.57 61.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.792 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.419 ' HG ' ' CG ' ' B' ' 24' ' ' ASN . 10.8 mp -74.18 -5.32 41.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.946 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 65.49 29.42 11.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.327 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.511 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 65.7 mt -92.87 79.38 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.472 ' HA ' ' HE2' ' B' ' 46' ' ' MET . 2.8 mmt -88.22 1.19 55.02 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.337 -176.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.562 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 71.1 m-20 -58.77 102.83 0.32 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.531 177.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 45.1 Cg_exo -54.22 -56.47 2.52 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.922 2.414 . . . . 0.0 114.279 -165.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.558 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 43.1 mt-30 -72.87 -32.23 65.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.847 0.356 . . . . 0.0 110.57 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.562 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 51.2 m170 -64.67 -41.29 96.18 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.599 ' O ' HD21 ' B' ' 55' ' ' LEU . 39.6 mtp180 -53.77 -56.16 19.99 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.032 172.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.458 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.7 -42.33 62.13 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.242 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.572 ' O ' HG22 ' A' ' 56' ' ' THR . 31.0 mtpt -65.72 -52.67 49.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.714 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.6 mt -53.9 -45.6 71.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.468 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.633 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -63.47 -47.01 83.56 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.965 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 53' ' ' LYS . 46.2 m -61.38 -40.72 95.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.544 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -59.57 -45.9 90.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.979 176.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.5 94.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.254 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.633 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 8.4 mm-40 -58.28 -53.0 63.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 110.193 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.468 HD21 ' HA ' ' A' ' 57' ' ' ALA . 8.3 mp -69.76 -38.61 76.83 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.968 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 56.7 mt -63.39 -24.19 67.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.344 0.52 . . . . 0.0 111.371 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.582 HD22 ' NH2' ' A' ' 11' ' ' ARG . 29.8 tp -72.46 -28.61 63.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -110.45 -36.91 5.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.59 44.68 1.0 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.283 -174.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -81.59 41.61 0.64 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.176 0.512 . . . . 0.0 111.043 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p 49.67 37.66 13.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.383 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.86 32.91 4.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.153 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 75.6 m 64.17 169.38 0.17 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.093 0.557 . . . . 0.0 111.84 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.509 -0.758 . . . . 0.0 111.424 -175.202 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.592 ' HD3' ' OD1' ' B' ' 63' ' ' ASP . 13.1 Cg_exo -69.08 115.1 3.83 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.733 2.289 . . . . 0.0 111.88 -178.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -93.01 -18.24 22.92 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.678 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 36.2 p -122.14 166.98 13.72 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.025 -177.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.518 ' O ' HD21 ' A' ' 9' ' ' LEU . 2.0 tm? -59.54 -51.76 68.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.74 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -52.58 -45.9 66.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.784 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.409 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 33.7 mm-40 -67.39 -31.93 72.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 -175.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 HD13 ' HB1' ' A' ' 57' ' ' ALA . 2.9 tm? -70.24 -42.76 71.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.385 178.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 14' ' ' LEU . 4.2 mm? -61.85 -37.23 83.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.028 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.24 -30.77 68.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.014 0.435 . . . . 0.0 110.891 176.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 8' ' ' LEU . 17.3 tpp180 -64.82 -40.8 95.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.662 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.467 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.9 pt -94.98 -12.66 8.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -176.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.19 28.75 14.08 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.99 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.531 ' O ' HD13 ' A' ' 9' ' ' LEU . 2.8 mm? -123.38 33.13 5.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.657 0.265 . . . . 0.0 110.664 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.8 pt-20 -58.49 -18.67 30.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.55 176.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 10.9 pt-20 -61.61 -19.99 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.414 174.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.443 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 88.7 m-70 -117.0 6.58 12.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.7 m -55.67 -45.57 77.7 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.178 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.557 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.4 t -63.62 -39.84 95.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.979 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.6 m -56.0 -52.46 64.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.943 0.402 . . . . 0.0 110.557 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.3 mm? -62.5 -50.36 71.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.091 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.5 tp -54.01 -44.84 71.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.519 -176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 19' ' ' SER . 88.0 mt -74.8 -22.44 58.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.578 -177.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -98.81 11.04 39.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.926 0.393 . . . . 0.0 111.646 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.98 -8.91 54.65 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.866 172.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.459 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.2 m-85 -87.2 76.67 9.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.351 0.596 . . . . 0.0 109.684 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -103.79 -11.81 17.33 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.876 -173.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -128.41 166.85 17.91 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.163 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.4 mt -68.36 -26.54 65.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.48 0.657 . . . . 0.0 109.483 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.22 -29.05 68.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.096 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 58.1 m-20 -81.93 -42.74 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.05 175.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -64.72 -27.16 68.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.973 -174.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -70.92 -12.42 61.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.219 0.533 . . . . 0.0 110.68 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -96.89 -0.15 48.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.708 0.766 . . . . 0.0 109.577 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -75.48 122.74 24.3 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.853 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.47 ' C ' HD11 ' A' ' 55' ' ' LEU . 34.2 mmt180 -120.05 164.79 15.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.702 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.611 ' N ' HD11 ' A' ' 55' ' ' LEU . 30.3 tt0 -67.01 -36.85 83.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.071 0.462 . . . . 0.0 110.354 -175.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -60.06 -26.03 65.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.051 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.773 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 25.3 m170 -76.72 -35.63 57.68 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD23 ' HG2' ' A' ' 51' ' ' ARG . 6.1 mp -64.23 -34.82 78.98 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.589 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -55.47 -36.79 66.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.856 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.47 -38.86 48.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.7 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 37.2 mt -76.56 -2.35 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.09 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.6 t30 70.38 19.0 6.56 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.987 0.899 . . . . 0.0 110.473 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.41 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 57.4 mt -88.33 75.71 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 0.8 OUTLIER -87.21 -6.92 58.41 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.475 -176.019 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 10.8 m-20 -57.54 104.95 0.46 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.365 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -56.71 -51.29 9.38 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 124.08 3.187 . . . . 0.0 114.489 -169.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 48.2 mt-30 -69.09 -36.21 77.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.21 0.529 . . . . 0.0 110.317 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 16.1 m170 -68.69 -37.58 79.67 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.256 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HG2' HD23 ' A' ' 40' ' ' LEU . 50.5 mtp180 -57.86 -55.62 32.53 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.956 170.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -49.88 -42.6 48.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.466 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.559 ' O ' HG22 ' B' ' 56' ' ' THR . 27.9 mtpt -66.73 -51.22 58.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.896 177.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.3 mt -54.33 -45.51 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.775 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.611 HD11 ' N ' ' A' ' 37' ' ' GLU . 2.0 mm? -68.69 -36.71 78.84 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.701 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.547 HG22 ' O ' ' B' ' 53' ' ' LYS . 48.9 m -65.03 -40.38 94.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.265 0.555 . . . . 0.0 110.008 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -62.43 -46.63 87.68 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.248 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.74 89.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.02 -49.81 76.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.613 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 64' ' ' TYR . 8.9 mp -73.33 -27.69 61.65 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.901 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 61.2 mt -72.02 -27.31 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.672 -0.642 . . . . 0.0 110.031 173.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.52 -37.75 65.54 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.684 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.596 ' OD1' ' HD3' ' B' ' 2' ' ' PRO . 0.6 OUTLIER -101.07 -37.64 8.51 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.421 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 90.1 m-85 -99.69 52.69 0.93 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.054 0.454 . . . . 0.0 110.305 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.95 48.04 0.93 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.648 0.737 . . . . 0.0 110.57 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.1 p 47.06 40.02 8.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.924 -1.035 . . . . 0.0 112.385 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.8 34.59 3.15 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.712 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 96.5 m 62.36 171.27 0.13 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.242 0.544 . . . . 0.0 112.022 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.087 178.325 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.596 ' HD3' ' OD1' ' A' ' 63' ' ' ASP . 13.0 Cg_exo -69.21 114.73 3.71 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.751 2.301 . . . . 0.0 111.953 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -92.76 -18.16 23.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.785 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.419 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 36.6 p -121.9 167.18 13.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.125 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.498 ' O ' HD21 ' B' ' 9' ' ' LEU . 1.9 tm? -59.64 -51.69 68.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.735 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -52.71 -45.87 67.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.738 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.419 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 34.4 mm-40 -67.35 -31.93 72.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.593 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.453 HD13 ' HB1' ' B' ' 57' ' ' ALA . 2.9 tm? -70.29 -42.81 71.55 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.265 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.53 HD13 ' O ' ' B' ' 14' ' ' LEU . 4.2 mm? -61.89 -37.14 83.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.45 -30.64 68.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' B' ' 8' ' ' LEU . 17.3 tpp180 -64.72 -41.26 96.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.577 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.468 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.7 pt -94.36 -13.22 8.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.18 29.41 12.62 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.84 174.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.53 ' O ' HD13 ' B' ' 9' ' ' LEU . 2.8 mm? -123.69 33.13 5.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.783 0.325 . . . . 0.0 110.669 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.425 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.7 pt-20 -58.42 -18.77 30.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.581 176.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.439 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 10.7 pt-20 -61.69 -19.78 62.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.46 174.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.439 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 88.3 m-70 -117.09 6.61 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 10.0 m -55.58 -45.61 77.34 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.156 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.562 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 27.2 t -63.82 -39.7 94.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.964 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.1 m -55.75 -52.64 63.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 0.0 110.62 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.3 mm? -62.57 -50.23 72.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.13 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 27' ' ' GLN . 13.5 tp -54.27 -44.23 71.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.628 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.5 mt -75.07 -23.07 57.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.513 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -98.56 11.35 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.983 0.421 . . . . 0.0 111.485 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.86 -9.01 54.96 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.887 172.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.473 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.1 m-85 -87.1 76.49 9.28 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.381 0.61 . . . . 0.0 109.658 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.412 ' HA ' HD12 ' B' ' 22' ' ' LEU . 60.7 mt-30 -103.66 -11.66 17.52 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.86 -173.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 60.3 p -128.65 167.02 17.79 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.242 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt -68.56 -26.73 65.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.11 -28.98 68.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.156 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.425 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 56.3 m-20 -81.86 -42.79 19.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.918 175.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 42.5 t80 -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.988 -174.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -70.91 -12.53 61.59 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.911 -0.493 . . . . 0.0 110.614 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -96.77 -0.27 48.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.638 0.732 . . . . 0.0 109.584 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' B' ' 32' ' ' PHE . 3.2 tm? -75.4 122.66 24.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.803 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.469 ' C ' HD11 ' B' ' 55' ' ' LEU . 34.5 mmt180 -119.99 164.92 15.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.697 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.615 ' N ' HD11 ' B' ' 55' ' ' LEU . 30.6 tt0 -67.07 -36.87 82.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.145 0.498 . . . . 0.0 110.439 -175.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -60.15 -25.97 65.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.052 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.762 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 25.1 m170 -76.59 -35.86 57.89 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.237 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.414 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 6.1 mp -64.05 -34.88 79.02 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 175.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.55 -36.72 67.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.859 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -77.59 -38.58 47.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.702 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 37.6 mt -76.58 -2.79 34.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.152 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 t30 70.8 18.88 6.07 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.723 0.773 . . . . 0.0 110.38 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.414 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 57.6 mt -88.18 75.97 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' B' ' 46' ' ' MET . 0.8 OUTLIER -87.36 -7.06 58.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.638 -176.117 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.421 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 10.4 m-20 -57.37 104.97 0.46 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.41 177.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -56.77 -51.03 9.9 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 124.053 3.169 . . . . 0.0 114.477 -169.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.535 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 48.0 mt-30 -69.35 -36.04 76.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.311 0.577 . . . . 0.0 110.298 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.421 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 16.2 m170 -68.86 -37.44 79.1 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.303 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.413 ' HG2' HD23 ' B' ' 40' ' ' LEU . 50.3 mtp180 -57.93 -55.54 33.65 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.971 170.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.479 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -49.93 -42.55 48.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.508 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 56' ' ' THR . 27.8 mtpt -66.71 -51.33 57.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.945 177.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.9 mt -54.29 -45.48 72.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.862 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.615 HD11 ' N ' ' B' ' 37' ' ' GLU . 2.0 mm? -68.55 -36.72 79.18 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.713 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 53' ' ' LYS . 48.3 m -65.14 -40.44 94.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.344 0.592 . . . . 0.0 110.01 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.562 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -62.38 -46.58 88.0 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.209 176.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.96 89.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -58.74 -49.86 76.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.618 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.488 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.9 mp -73.57 -27.56 61.38 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.872 -178.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 62.0 mt -71.89 -27.4 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.445 0.641 . . . . 0.0 110.056 173.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.51 -37.73 65.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.651 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.592 ' OD1' ' HD3' ' A' ' 2' ' ' PRO . 0.6 OUTLIER -101.19 -37.32 8.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.243 -175.341 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' B' ' 60' ' ' LEU . 90.0 m-85 -100.05 52.54 0.9 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.028 0.442 . . . . 0.0 110.256 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -79.58 48.0 0.88 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.564 0.697 . . . . 0.0 110.597 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.4 p 47.18 39.76 8.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 114.992 -1.003 . . . . 0.0 112.359 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.55 34.61 3.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.801 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 97.8 m 62.11 171.07 0.13 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.359 0.6 . . . . 0.0 111.913 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.048 178.504 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.73 117.65 5.14 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.743 2.295 . . . . 0.0 111.809 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -89.02 -14.16 37.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.183 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.9 p -133.12 170.46 15.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.152 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.435 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.6 tm? -60.67 -49.55 77.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.435 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -54.12 -44.52 71.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.214 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -69.07 -30.88 69.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.733 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' HG ' HD13 ' A' ' 61' ' ' LEU . 2.9 tm? -67.22 -42.48 84.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.996 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.4 mm? -62.2 -40.11 94.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.7 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -66.9 -30.11 70.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.534 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' NH2' HD21 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -65.86 -46.29 79.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.423 -179.051 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.498 ' CG2' HG21 ' B' ' 56' ' ' THR . 40.6 pt -90.34 -12.7 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.992 -175.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.72 27.36 14.66 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.687 175.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' HD11 ' A' ' 9' ' ' LEU . 3.2 mm? -118.78 27.87 8.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.106 0.479 . . . . 0.0 110.133 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.6 pt-20 -60.82 -17.3 48.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.709 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.3 pt-20 -62.9 -20.01 64.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.008 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.472 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 83.5 m-70 -119.41 11.34 12.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.94 -175.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 15.1 m -55.06 -45.8 75.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.885 0.374 . . . . 0.0 110.767 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.564 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 28.9 m -62.65 -37.88 88.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.806 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.403 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 43.2 m -57.48 -50.68 72.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.796 0.331 . . . . 0.0 110.486 178.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.3 mm? -61.38 -53.29 58.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.848 176.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.19 -47.93 65.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.001 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 19' ' ' SER . 86.7 mt -71.05 -27.69 63.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.646 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -94.25 13.46 23.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.117 0.484 . . . . 0.0 111.379 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.24 -8.76 45.21 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.03 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 91.7 m-85 -86.17 79.86 8.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.14 0.495 . . . . 0.0 109.965 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -103.76 -19.4 14.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.007 -175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.6 p -124.93 168.56 13.13 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.594 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.73 -26.91 66.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.405 0.622 . . . . 0.0 109.324 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.453 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 40.8 mt-10 -69.74 -25.42 63.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.972 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 58.3 m-20 -81.56 -48.58 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.33 -28.35 69.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.906 -174.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.6 ptpt -65.56 -8.77 21.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.199 -0.313 . . . . 0.0 111.536 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -105.69 6.0 31.56 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.194 0.521 . . . . 0.0 110.595 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.37 122.46 20.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.55 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' C ' HD13 ' A' ' 55' ' ' LEU . 19.6 mmt180 -119.8 165.6 14.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.252 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.579 ' N ' HD13 ' A' ' 55' ' ' LEU . 31.9 tt0 -64.33 -39.09 93.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.058 0.456 . . . . 0.0 110.4 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.1 m -56.44 -28.34 59.28 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.393 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.751 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 48.6 m170 -76.75 -34.54 58.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.096 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -63.38 -38.21 90.27 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.575 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 80.7 m-20 -59.19 -35.07 72.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.484 0.659 . . . . 0.0 109.726 175.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.56 -36.1 63.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.837 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 60.6 mt -82.47 -3.64 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.069 -177.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.7 t30 70.15 18.17 7.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.762 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.414 HD12 HD11 ' A' ' 40' ' ' LEU . 62.2 mt -88.87 72.59 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 173.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' A' ' 41' ' ' ASN . 70.1 mmm -83.57 -8.26 59.36 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.604 -172.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 27.7 m-20 -57.44 108.49 1.27 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.554 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 47.2 Cg_exo -56.46 -51.17 9.84 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 124.086 3.191 . . . . 0.0 114.589 -171.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.559 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 50.8 mt-30 -67.7 -36.07 79.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.039 0.447 . . . . 0.0 110.125 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 21.2 m170 -65.5 -43.09 91.21 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.815 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.575 ' O ' HD23 ' A' ' 55' ' ' LEU . 43.5 mtp180 -56.46 -54.24 48.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.053 172.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.442 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -50.0 -42.18 48.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.349 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.585 ' O ' HG23 ' B' ' 56' ' ' THR . 29.9 mtpt -67.84 -51.08 52.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.724 177.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.7 mt -54.63 -43.94 72.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.52 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -64.98 -44.8 88.11 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.321 179.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.589 HG23 ' O ' ' B' ' 53' ' ' LYS . 32.2 m -61.62 -40.99 96.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.013 0.435 . . . . 0.0 110.78 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.468 ' HA ' HD23 ' B' ' 60' ' ' LEU . . . -60.45 -46.74 88.97 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.931 176.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.16 97.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.317 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 23.3 mm-40 -58.55 -54.11 50.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.426 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 57' ' ' ALA . 8.2 mp -65.95 -46.5 77.92 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.683 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.471 HD13 ' HG ' ' A' ' 8' ' ' LEU . 94.5 mt -60.24 -22.41 63.01 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.859 0.361 . . . . 0.0 111.691 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.477 HD21 ' NH2' ' B' ' 11' ' ' ARG . 24.3 tp -70.46 -26.9 63.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -113.41 -38.44 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.019 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -99.03 51.48 0.96 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 123.215 0.606 . . . . 0.0 111.263 -174.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.406 ' C ' ' HG1' ' A' ' 66' ' ' THR . 10.2 p-10 -86.09 33.79 0.61 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.033 0.444 . . . . 0.0 110.875 -178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.406 ' HG1' ' C ' ' A' ' 65' ' ' ASP . 12.9 p 51.36 25.93 2.82 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.939 0.896 . . . . 0.0 112.973 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.24 42.0 3.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.064 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.0 m 61.94 172.66 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.324 0.583 . . . . 0.0 111.872 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.032 178.502 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 112.378 -0.289 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.51 117.81 5.22 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.788 2.325 . . . . 0.0 111.735 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -89.36 -13.74 37.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.3 p -133.58 170.47 15.48 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.064 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.443 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.6 tm? -60.88 -49.39 77.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.545 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.28 -44.52 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.145 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -69.03 -30.96 69.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.661 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.476 ' HG ' HD13 ' B' ' 61' ' ' LEU . 2.9 tm? -67.15 -42.47 84.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.063 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.443 HD23 ' O ' ' B' ' 5' ' ' LEU . 4.4 mm? -62.18 -40.26 95.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.635 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.86 -30.08 70.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 0.0 110.476 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.477 ' NH2' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.73 -46.51 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.423 -179.181 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.495 ' CG2' HG21 ' A' ' 56' ' ' THR . 40.5 pt -89.91 -13.34 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.011 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.23 27.39 13.55 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.651 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.419 ' O ' HD11 ' B' ' 9' ' ' LEU . 3.2 mm? -118.7 27.85 8.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.978 0.418 . . . . 0.0 110.109 177.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.428 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.5 pt-20 -60.77 -17.52 49.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.858 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 11.5 pt-20 -62.72 -20.09 64.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.045 174.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.465 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 82.9 m-70 -119.16 10.95 12.22 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.981 0.364 . . . . 0.0 111.981 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.428 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 14.5 m -54.88 -45.76 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.75 0.309 . . . . 0.0 110.931 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.57 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 23.4 m -63.07 -37.46 87.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.699 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 52.8 m -57.66 -50.76 72.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.811 0.339 . . . . 0.0 110.369 178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.3 mm? -61.25 -53.28 58.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.815 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.6 tp -52.45 -47.48 66.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.989 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' B' ' 19' ' ' SER . 86.9 mt -71.1 -28.28 64.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.577 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -93.83 13.26 23.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.126 0.488 . . . . 0.0 111.364 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.46 -9.11 44.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.176 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.455 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 91.8 m-85 -85.78 79.91 9.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.167 0.508 . . . . 0.0 109.935 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -103.75 -19.73 14.2 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.778 -175.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -124.66 168.08 13.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.649 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -67.29 -26.95 66.79 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.45 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 40.4 mt-10 -69.6 -25.42 63.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.901 176.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.439 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 56.5 m-20 -81.56 -48.66 11.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.26 -28.45 70.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.9 -174.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.45 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.6 ptpt -65.5 -8.54 19.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.112 -0.367 . . . . 0.0 111.597 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.91 5.94 31.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.201 0.525 . . . . 0.0 110.584 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.18 122.33 19.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.65 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.512 ' C ' HD13 ' B' ' 55' ' ' LEU . 19.6 mmt180 -119.56 165.46 14.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.281 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.584 ' N ' HD13 ' B' ' 55' ' ' LEU . 31.9 tt0 -64.29 -39.04 93.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.013 0.435 . . . . 0.0 110.379 -175.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -56.38 -28.58 59.62 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.328 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.757 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 48.4 m170 -76.53 -34.67 58.53 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.087 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.416 HD11 HD12 ' B' ' 45' ' ' ILE . 0.4 OUTLIER -63.27 -38.2 90.21 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 175.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . 0.565 ' HA ' ' SD ' ' B' ' 46' ' ' MET . 81.4 m-20 -59.28 -34.97 72.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.812 175.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -74.54 -36.42 63.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.801 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.757 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 60.7 mt -82.08 -3.61 55.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.102 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 65.5 t30 70.32 17.75 6.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.793 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.416 HD12 HD11 ' B' ' 40' ' ' LEU . 62.1 mt -88.51 72.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 174.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.565 ' SD ' ' HA ' ' B' ' 41' ' ' ASN . 69.6 mmm -83.89 -8.02 59.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.613 -172.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.433 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 28.9 m-20 -57.5 108.32 1.22 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.52 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.55 -50.92 10.39 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 124.206 3.271 . . . . 0.0 114.557 -171.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.574 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 50.4 mt-30 -67.84 -36.26 80.03 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 20.9 m170 -65.49 -43.07 91.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.78 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.556 ' O ' HD23 ' B' ' 55' ' ' LEU . 43.7 mtp180 -56.43 -54.3 47.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.08 172.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.446 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -49.86 -42.28 47.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.279 -178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.589 ' O ' HG23 ' A' ' 56' ' ' THR . 29.7 mtpt -67.67 -51.4 50.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.771 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 80.3 mt -54.49 -43.82 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.6 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.584 HD13 ' N ' ' B' ' 37' ' ' GLU . 0.3 OUTLIER -65.07 -44.6 88.42 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.38 179.524 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 53' ' ' LYS . 32.0 m -61.65 -41.04 96.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.049 0.452 . . . . 0.0 110.762 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.463 ' HA ' HD23 ' A' ' 60' ' ' LEU . . . -60.61 -46.72 89.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.86 176.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.01 97.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.216 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 21.3 mm-40 -58.72 -54.17 50.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.393 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 57' ' ' ALA . 8.2 mp -65.89 -46.54 77.99 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.664 -178.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.476 HD13 ' HG ' ' B' ' 8' ' ' LEU . 94.4 mt -60.13 -22.47 62.87 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.872 0.367 . . . . 0.0 111.812 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.444 HD21 ' NH2' ' A' ' 11' ' ' ARG . 24.3 tp -70.31 -27.34 64.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.379 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -112.93 -38.61 4.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.029 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.94 51.45 0.96 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.347 -174.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.435 ' C ' ' HG1' ' B' ' 66' ' ' THR . 10.8 p-10 -85.65 33.46 0.58 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.074 0.464 . . . . 0.0 110.941 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.435 ' HG1' ' C ' ' B' ' 65' ' ' ASP . 13.7 p 51.39 25.97 2.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.973 0.909 . . . . 0.0 112.917 -178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.41 42.39 3.15 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.17 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 89.5 m 61.76 172.34 0.12 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.364 0.602 . . . . 0.0 111.879 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.764 178.253 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 112.175 -0.37 . . . . 0.0 112.175 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.499 ' HD3' ' OD2' ' B' ' 63' ' ' ASP . 23.8 Cg_exo -63.47 114.57 2.58 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.695 2.264 . . . . 0.0 111.82 177.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -86.64 -19.18 29.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.226 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.55 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 77.4 p -125.15 165.61 17.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.016 -176.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.6 tm? -57.72 -47.87 81.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.444 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -54.01 -48.17 70.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.333 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.55 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 24.0 mm-40 -67.06 -33.0 74.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 HD12 ' HB2' ' A' ' 57' ' ' ALA . 3.0 tm? -66.11 -46.61 76.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.422 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.3 mm? -61.93 -42.18 98.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.24 -30.95 71.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.784 0.326 . . . . 0.0 110.688 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HD3' ' HB3' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -64.31 -52.57 57.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.724 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.458 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.8 pt -81.51 -13.89 12.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.974 -175.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.19 24.28 17.19 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.744 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.9 mm? -117.03 31.48 6.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.905 0.383 . . . . 0.0 110.412 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.4 pt-20 -59.64 -18.41 41.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.927 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.92 -22.2 66.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.981 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.83 10.86 15.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.637 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.479 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.4 m -57.66 -45.63 85.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.051 0.453 . . . . 0.0 110.349 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.552 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 32.2 t -63.11 -36.32 83.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.904 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.3 m -58.82 -52.58 65.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.901 0.381 . . . . 0.0 110.117 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.9 mm? -60.19 -53.12 61.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.119 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 27' ' ' GLN . 20.2 tp -52.29 -49.19 64.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.689 -176.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 19' ' ' SER . 82.3 mt -73.23 -21.04 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.575 -176.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -96.34 12.17 32.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.962 0.411 . . . . 0.0 111.174 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.54 -8.36 51.64 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.938 172.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.446 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 95.2 m-85 -88.18 81.21 7.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.361 0.6 . . . . 0.0 109.699 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.408 ' HA ' HD12 ' A' ' 22' ' ' LEU . 37.2 mt-30 -104.1 -15.99 15.39 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.617 -172.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -129.53 170.75 13.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.706 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.33 -29.05 69.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.325 0.583 . . . . 0.0 109.638 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.4 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 46.1 mt-10 -65.5 -30.32 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.412 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.437 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 50.3 m-20 -81.66 -44.3 17.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.04 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -65.48 -28.59 69.31 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.94 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 19.4 ptpt -68.89 -7.79 38.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.105 0.478 . . . . 0.0 110.895 177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -103.86 2.38 32.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.652 0.739 . . . . 0.0 109.442 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -75.19 125.48 29.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.868 -178.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -130.04 169.45 15.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.632 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -61.72 -40.87 96.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.063 0.459 . . . . 0.0 110.17 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.7 m -57.15 -32.6 66.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.319 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.502 ' O ' HD13 ' A' ' 43' ' ' LEU . 66.6 m170 -76.58 -40.51 49.44 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.83 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -59.58 -34.4 72.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.095 175.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -62.09 -36.73 82.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.108 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.14 -36.17 64.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.525 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 39' ' ' HIS . 11.2 mp -77.36 -4.54 45.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.02 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t30 67.29 29.5 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.619 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 55.9 mt -90.88 79.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.477 ' HE3' ' HA ' ' A' ' 46' ' ' MET . 20.4 mmt -78.4 -11.7 59.96 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.489 -176.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 64.0 m-20 -55.33 105.16 0.49 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.538 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.97 -50.99 4.2 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.274 2.649 . . . . 0.0 113.847 -171.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.513 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 53.8 mt-30 -68.32 -36.13 78.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.994 0.426 . . . . 0.0 110.166 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.523 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 41.6 m170 -66.2 -42.13 89.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.718 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.583 ' O ' HD21 ' A' ' 55' ' ' LEU . 41.9 mtp180 -53.29 -53.51 49.86 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.052 171.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.486 ' HB2' ' CG ' ' B' ' 53' ' ' LYS . . . -53.38 -44.49 68.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.243 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' O ' HG22 ' B' ' 56' ' ' THR . 29.7 mtpt -64.79 -51.66 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.894 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 85.0 mt -55.39 -45.25 76.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.422 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.583 HD21 ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -63.15 -42.35 99.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.873 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.571 HG22 ' O ' ' B' ' 53' ' ' LYS . 30.2 m -64.3 -41.16 96.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.237 0.542 . . . . 0.0 110.818 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.598 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -62.09 -43.53 98.64 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.831 177.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.6 90.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.5 mm-40 -57.68 -52.97 63.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.157 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 64' ' ' TYR . 8.9 mp -74.09 -21.95 59.7 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.133 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 41.4 mt -74.03 -29.51 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.035 172.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.8 tp -72.05 -41.71 67.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.325 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.512 ' OD2' ' HD3' ' B' ' 2' ' ' PRO . 1.1 m-20 -89.74 -45.96 8.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.312 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.495 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 90.6 m-85 -96.97 52.9 1.18 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.961 0.41 . . . . 0.0 110.743 -175.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.01 43.5 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.78 0.8 . . . . 0.0 110.66 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.418 ' H ' ' C ' ' A' ' 64' ' ' TYR . 31.8 p 46.54 40.36 8.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.579 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.89 32.91 3.63 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.575 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 80.2 m 63.58 166.04 0.13 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.33 0.586 . . . . 0.0 111.922 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.658 -0.687 . . . . 0.0 110.612 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 CA-C-O 120.008 -0.329 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.512 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 23.9 Cg_exo -63.55 114.73 2.66 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.724 2.283 . . . . 0.0 111.756 177.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -86.93 -18.61 30.38 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.298 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.57 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 72.3 p -125.59 165.88 17.72 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.921 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.453 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.6 tm? -58.21 -48.09 81.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.352 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -53.71 -48.13 69.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.421 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.57 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.2 mm-40 -67.2 -32.92 74.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.435 -176.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' B' ' 57' ' ' ALA . 3.0 tm? -66.15 -46.55 77.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.358 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.453 HD23 ' O ' ' B' ' 5' ' ' LEU . 4.3 mm? -62.07 -41.91 98.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.01 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.56 -30.59 71.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.707 0.289 . . . . 0.0 110.867 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.474 ' HD3' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -64.35 -52.99 55.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.747 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 56' ' ' THR . 42.0 pt -81.42 -13.74 12.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.899 -175.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.82 22.91 19.51 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.022 174.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.453 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -116.27 31.9 6.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.848 0.356 . . . . 0.0 110.369 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.486 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.5 pt-20 -59.82 -18.54 44.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.994 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.14 -21.23 66.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.989 175.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -116.6 10.79 14.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.605 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.486 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 9.1 m -57.73 -45.37 85.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.024 0.44 . . . . 0.0 110.444 178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.543 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 33.0 t -63.35 -36.59 84.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.848 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.6 m -58.51 -52.49 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.139 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.449 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.9 mm? -60.36 -53.16 61.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.119 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.3 tp -52.25 -49.11 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.818 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 19' ' ' SER . 82.2 mt -73.18 -21.12 60.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.587 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -96.23 11.89 32.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.991 0.424 . . . . 0.0 111.196 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -8.16 51.13 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.862 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.449 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 95.5 m-85 -88.36 81.05 7.33 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.422 0.629 . . . . 0.0 109.695 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -104.03 -15.62 15.54 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.699 -172.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.2 p -129.64 170.98 13.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.712 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.57 -29.23 69.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.34 0.59 . . . . 0.0 109.486 174.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.2 -30.56 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.415 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.444 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 49.2 m-20 -81.46 -44.31 17.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.194 0.521 . . . . 0.0 109.877 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -65.66 -28.46 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.934 -174.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -69.02 -7.57 36.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.086 0.469 . . . . 0.0 110.902 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -104.05 2.3 31.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.721 0.772 . . . . 0.0 109.411 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -75.07 125.52 29.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.851 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -129.98 169.36 15.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.56 -177.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.63 -41.08 96.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.003 0.43 . . . . 0.0 110.197 -178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.5 m -57.06 -32.57 66.36 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.241 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.507 ' O ' HD13 ' B' ' 43' ' ' LEU . 66.5 m170 -76.57 -40.19 50.4 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.894 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.428 ' HA ' HD11 ' B' ' 40' ' ' LEU . 0.1 OUTLIER -59.79 -34.26 72.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.964 175.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.08 -37.11 83.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.115 175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -73.99 -35.58 64.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.535 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.507 HD13 ' O ' ' B' ' 39' ' ' HIS . 11.2 mp -78.08 -4.07 45.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.005 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 66.68 29.76 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.673 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 56.0 mt -90.99 79.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.487 ' HA ' ' HE3' ' B' ' 46' ' ' MET . 19.9 mmt -78.33 -11.88 59.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.387 -176.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.526 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 65.0 m-20 -55.1 105.06 0.47 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.627 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.08 -50.85 4.32 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.407 2.738 . . . . 0.0 113.794 -171.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.515 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.1 mt-30 -68.84 -35.83 77.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.928 0.394 . . . . 0.0 110.128 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.526 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 40.8 m170 -66.28 -42.09 88.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.749 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.58 ' O ' HD21 ' B' ' 55' ' ' LEU . 41.7 mtp180 -53.32 -53.59 48.7 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.978 171.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.479 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . . . -53.26 -44.49 68.24 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.287 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.571 ' O ' HG22 ' A' ' 56' ' ' THR . 29.9 mtpt -64.92 -51.58 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.797 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 84.9 mt -55.49 -45.17 77.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.348 -178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.593 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -63.2 -42.27 99.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.895 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 53' ' ' LYS . 29.9 m -64.35 -41.14 96.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.167 0.508 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.59 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -62.12 -43.46 98.78 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.863 177.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.52 91.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.715 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.5 mm-40 -57.77 -53.01 63.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.063 178.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.508 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.9 mp -74.17 -21.81 59.68 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.147 -176.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 41.4 mt -73.96 -29.67 62.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.34 0.591 . . . . 0.0 110.124 172.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.05 -41.45 67.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.342 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.499 ' OD2' ' HD3' ' A' ' 2' ' ' PRO . 1.1 m-20 -89.7 -46.46 8.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.351 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' B' ' 60' ' ' LEU . 90.5 m-85 -96.67 52.93 1.23 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.039 0.447 . . . . 0.0 110.801 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -77.77 43.24 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.597 0.713 . . . . 0.0 110.608 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.415 ' H ' ' C ' ' B' ' 64' ' ' TYR . 31.4 p 46.72 40.18 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.535 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.83 32.91 3.62 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.557 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 83.6 m 63.49 165.78 0.13 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.48 0.657 . . . . 0.0 111.961 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.588 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.065 -0.414 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -61.85 121.67 9.86 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.8 2.334 . . . . 0.0 112.168 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -92.6 -17.86 23.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.646 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.484 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 45.1 p -126.41 169.39 13.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.81 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.47 HD23 ' CD2' ' A' ' 32' ' ' PHE . 2.6 tm? -62.81 -46.47 87.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.977 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.41 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 58.2 t-80 -51.59 -46.84 63.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.165 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.484 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 27.1 mm-40 -69.58 -32.41 71.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.711 -176.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.422 HD12 ' HB1' ' A' ' 57' ' ' ALA . 2.9 tm? -70.0 -43.8 70.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 14' ' ' LEU . 3.7 mm? -62.06 -41.94 98.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 42.2 mt-10 -66.71 -31.44 72.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.868 0.366 . . . . 0.0 110.427 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' NH2' HD22 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -64.77 -46.21 83.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.183 -178.291 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' CG2' HG22 ' B' ' 56' ' ' THR . 41.4 pt -87.67 -14.52 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.526 -177.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.52 30.8 8.78 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.998 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 9' ' ' LEU . 2.8 mm? -121.8 33.88 5.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.943 0.402 . . . . 0.0 110.24 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.2 pt-20 -61.41 -15.84 40.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.798 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.27 -16.97 63.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.922 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -119.09 5.94 11.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.976 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.48 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 15.3 m -55.29 -46.88 76.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.898 0.38 . . . . 0.0 110.424 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.59 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 33.5 t -61.98 -39.3 91.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.915 176.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -56.55 -51.98 66.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.27 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.4 mm? -59.8 -52.12 66.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.197 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.98 -45.19 71.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.174 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 19' ' ' SER . 87.4 mt -68.37 -30.35 69.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.973 0.416 . . . . 0.0 111.081 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.411 ' ND2' ' HG ' ' A' ' 43' ' ' LEU . 28.7 m-80 -91.25 4.92 51.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.369 -177.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.8 -4.67 42.54 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.002 172.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.457 ' HA ' ' CB ' ' A' ' 31' ' ' ASP . 96.2 m-85 -89.47 82.49 6.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.104 0.478 . . . . 0.0 109.865 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -109.21 -11.74 14.87 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.711 -174.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -128.81 167.69 16.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.546 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.6 mt -65.68 -27.98 68.75 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.623 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 31.9 mt-10 -70.31 -27.17 64.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.636 178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 54.5 m-20 -80.37 -47.48 14.38 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' CD2' HD23 ' A' ' 5' ' ' LEU . 41.9 t80 -65.54 -28.99 69.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.061 -173.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.6 ptpt -66.36 -9.1 30.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 0.0 111.059 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -104.72 2.61 30.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.317 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -72.44 124.69 25.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.868 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.468 ' C ' HD12 ' A' ' 55' ' ' LEU . 21.3 mmt180 -121.16 166.94 13.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.529 ' N ' HD12 ' A' ' 55' ' ' LEU . 39.6 tt0 -63.51 -42.26 98.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.945 0.402 . . . . 0.0 110.575 -177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 m -60.4 -23.62 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.428 ' O ' HD11 ' A' ' 43' ' ' LEU . 39.1 m170 -76.38 -40.73 50.23 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' CD1' HD13 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.6 -33.86 72.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.821 175.599 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -56.67 -40.07 74.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.159 0.504 . . . . 0.0 110.073 171.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.42 -33.08 58.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.975 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 39' ' ' HIS . 11.0 mp -81.0 -0.75 40.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.149 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 64.83 30.85 12.0 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.896 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.419 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 60.5 mt -97.3 83.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.194 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.495 ' HE1' ' HA ' ' A' ' 46' ' ' MET . 3.9 mmt -93.16 -9.8 38.11 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.624 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 30.9 m-20 -61.18 110.18 2.8 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.219 177.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 34.7 Cg_exo -57.41 -47.0 23.97 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.88 3.053 . . . . 0.0 114.108 -171.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.611 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.5 mt-30 -68.49 -38.17 80.76 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.07 0.462 . . . . 0.0 110.04 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.453 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 13.9 m170 -66.87 -40.72 87.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.517 ' O ' HD22 ' A' ' 55' ' ' LEU . 44.2 mtp180 -56.65 -56.78 17.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.103 170.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB2' ' CG ' ' B' ' 53' ' ' LYS . . . -50.45 -43.71 55.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.439 -176.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 34.7 mtpt -66.21 -50.1 65.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.71 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 95.4 mt -55.88 -46.95 78.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.528 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.651 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -63.32 -45.04 93.15 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.175 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.584 HG21 ' O ' ' B' ' 53' ' ' LYS . 34.8 m -62.71 -39.44 94.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.059 0.457 . . . . 0.0 110.787 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -60.83 -45.06 95.95 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.912 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.78 96.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 8.0 mm-40 -57.66 -53.84 53.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.377 0.608 . . . . 0.0 110.273 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' B' ' 57' ' ' ALA . 9.5 mp -72.4 -31.66 65.73 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.784 -0.643 . . . . 0.0 112.347 -176.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 44.4 mt -67.53 -25.37 65.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.499 0.591 . . . . 0.0 110.757 176.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.464 HD22 ' NH2' ' B' ' 11' ' ' ARG . 33.1 tp -74.8 -32.66 62.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.748 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -103.52 -41.14 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.183 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.497 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 97.2 m-85 -100.05 48.41 0.93 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -175.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -80.68 37.06 0.4 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.03 0.443 . . . . 0.0 111.058 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 64' ' ' TYR . 11.0 p 48.33 33.45 3.85 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.849 0.86 . . . . 0.0 112.741 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.04 34.89 2.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 99.3 m 65.81 159.73 0.12 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.245 0.618 . . . . 0.0 111.831 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.126 178.162 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -61.84 121.64 9.82 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.834 2.356 . . . . 0.0 112.144 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -92.53 -17.96 23.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.591 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.491 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 45.8 p -126.33 169.42 12.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.722 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.48 HD23 ' CD2' ' B' ' 32' ' ' PHE . 2.6 tm? -63.06 -46.15 88.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.008 -178.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.4 ' HA ' ' CG2' ' B' ' 18' ' ' THR . 58.2 t-80 -51.79 -46.82 64.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.1 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.491 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.3 mm-40 -69.7 -32.41 70.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.742 -176.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -69.83 -43.81 71.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.364 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.509 HD11 ' O ' ' B' ' 14' ' ' LEU . 3.7 mm? -62.15 -41.78 98.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -66.83 -31.59 72.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.925 0.393 . . . . 0.0 110.379 176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.464 ' NH2' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.82 -45.7 85.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.345 -178.387 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.423 ' CG2' HG22 ' A' ' 56' ' ' THR . 40.9 pt -87.98 -14.69 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.646 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.78 30.54 8.89 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.062 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.509 ' O ' HD11 ' B' ' 9' ' ' LEU . 2.8 mm? -121.58 33.77 5.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.888 0.375 . . . . 0.0 110.244 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.461 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 12.2 pt-20 -61.31 -16.14 42.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.857 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.89 -17.17 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.972 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -119.02 6.03 11.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.969 -176.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.461 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 16.2 m -55.44 -46.61 76.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.401 . . . . 0.0 110.483 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 32.8 t -62.0 -39.48 92.37 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.92 176.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -56.24 -52.14 65.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.931 0.396 . . . . 0.0 110.346 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.4 mm? -59.72 -52.13 66.82 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.162 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.99 -45.04 71.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.129 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 19' ' ' SER . 87.6 mt -68.68 -30.23 68.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.408 . . . . 0.0 111.037 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.41 ' ND2' ' HG ' ' B' ' 43' ' ' LEU . 27.7 m-80 -91.32 5.11 50.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.434 -177.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.84 -4.8 42.45 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.947 172.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.467 ' HA ' ' CB ' ' B' ' 31' ' ' ASP . 96.0 m-85 -89.67 82.62 6.29 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.192 0.52 . . . . 0.0 109.971 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -109.46 -11.89 14.77 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.763 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 66.7 p -128.5 167.95 16.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.497 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.9 -27.69 68.39 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.587 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.421 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 32.5 mt-10 -70.78 -26.71 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.702 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.467 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 53.2 m-20 -80.58 -47.64 13.88 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.48 ' CD2' HD23 ' B' ' 5' ' ' LEU . 41.7 t80 -65.46 -28.95 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.05 -173.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.421 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.6 ptpt -66.45 -9.11 30.85 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.877 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -104.63 2.46 30.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.338 0.59 . . . . 0.0 110.374 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.447 HD13 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -72.23 124.69 25.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.858 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.464 ' C ' HD12 ' B' ' 55' ' ' LEU . 21.9 mmt180 -121.14 167.03 13.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.531 ' N ' HD12 ' B' ' 55' ' ' LEU . 39.4 tt0 -63.63 -42.14 98.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.885 0.374 . . . . 0.0 110.631 -177.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 39.3 m -60.53 -23.5 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.398 0.618 . . . . 0.0 110.347 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.422 ' O ' HD11 ' B' ' 43' ' ' LEU . 39.8 m170 -76.47 -40.57 49.99 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.447 ' CD1' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -59.63 -34.09 72.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.784 175.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -56.27 -40.56 74.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.328 0.585 . . . . 0.0 110.028 172.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.2 -33.2 59.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.865 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.422 HD11 ' O ' ' B' ' 39' ' ' HIS . 10.9 mp -80.68 -1.0 40.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.111 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 64.84 31.15 11.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.676 0.75 . . . . 0.0 110.783 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.417 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 60.9 mt -97.35 83.6 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.169 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.5 ' HE1' ' HA ' ' B' ' 46' ' ' MET . 3.8 mmt -93.29 -9.44 39.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.51 -172.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 32.9 m-20 -61.3 110.35 2.98 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 123.354 0.408 . . . . 0.0 110.105 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 32.4 Cg_exo -57.72 -47.16 22.4 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.729 2.952 . . . . 0.0 114.126 -171.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.622 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.3 mt-30 -68.04 -38.28 82.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.456 ' O ' ' HG ' ' B' ' 54' ' ' LEU . 13.8 m170 -66.91 -40.68 87.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.103 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.503 ' O ' HD22 ' B' ' 55' ' ' LEU . 44.0 mtp180 -56.56 -56.75 17.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.181 170.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.497 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . . . -50.5 -43.6 55.76 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.488 -176.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 34.8 mtpt -66.26 -50.14 64.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.729 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 95.1 mt -55.8 -46.98 77.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.512 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.645 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.3 OUTLIER -63.26 -45.05 93.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.253 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.583 HG21 ' O ' ' A' ' 53' ' ' LYS . 35.8 m -62.77 -39.46 94.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.02 0.438 . . . . 0.0 110.732 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -60.85 -45.05 96.02 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.939 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.91 96.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.645 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 7.8 mm-40 -57.49 -54.0 51.84 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.359 178.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 57' ' ' ALA . 9.5 mp -72.33 -31.76 65.94 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.282 -176.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 44.7 mt -67.49 -25.23 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.465 0.575 . . . . 0.0 110.797 176.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.437 HD22 ' NH2' ' A' ' 11' ' ' ARG . 33.4 tp -75.06 -32.46 61.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.791 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -103.62 -41.13 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.153 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . 0.497 ' HB3' ' O ' ' A' ' 64' ' ' TYR . 97.2 m-85 -100.05 48.47 0.93 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -175.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -80.98 37.41 0.43 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.334 0.588 . . . . 0.0 111.16 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 p 48.3 33.25 3.65 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.744 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.25 35.22 2.98 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.394 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 96.3 m 65.73 159.49 0.12 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.451 0.643 . . . . 0.0 111.907 -177.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.988 177.743 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.38 125.01 14.78 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.657 2.238 . . . . 0.0 112.142 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -99.09 -22.29 15.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.751 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.2 p -127.26 174.59 8.82 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.708 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.546 ' O ' HD22 ' A' ' 9' ' ' LEU . 2.7 tm? -59.91 -53.2 60.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.444 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -54.23 -42.35 69.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.217 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -62.18 -41.92 98.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.7 tm? -67.46 -43.33 81.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.214 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 5' ' ' LEU . 4.1 mm? -60.85 -42.52 97.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.66 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.16 -35.36 80.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.698 0.285 . . . . 0.0 110.676 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -46.16 90.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.423 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' B' ' 56' ' ' THR . 36.7 pt -90.38 -13.19 9.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.849 -176.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.03 26.05 15.49 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.906 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.514 ' O ' HD11 ' A' ' 9' ' ' LEU . 2.7 mm? -117.84 29.78 7.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.997 0.427 . . . . 0.0 110.064 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -22.32 60.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.164 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -56.55 -22.09 30.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.519 172.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -115.98 10.82 15.24 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -176.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -55.34 -50.85 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.012 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.47 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.6 t -64.05 -32.67 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.978 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.3 m -60.33 -53.94 51.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.086 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 3.0 mm? -58.33 -51.81 68.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.722 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.49 -48.14 62.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.919 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.2 mt -74.69 -26.35 59.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.667 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.477 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 24.3 m-80 -90.23 7.16 39.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.901 0.382 . . . . 0.0 111.557 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.94 1.26 42.18 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.759 172.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' HA ' ' CB ' ' A' ' 31' ' ' ASP . 96.0 m-85 -99.52 82.82 2.7 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.253 0.549 . . . . 0.0 109.789 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -106.79 -16.73 14.41 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.714 -172.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -127.98 168.09 15.76 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.458 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.83 -29.24 70.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.343 0.592 . . . . 0.0 109.556 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.31 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.459 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.442 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 57.7 m-20 -82.78 -45.0 14.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.002 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -62.86 -29.6 70.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.872 -173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.62 -4.95 21.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.113 0.482 . . . . 0.0 111.05 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -103.41 -1.19 28.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.924 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -72.29 129.48 38.52 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.106 -177.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -130.01 166.39 20.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.247 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.77 -43.44 98.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 110.667 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.4 m -58.93 -29.06 66.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.315 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.44 ' O ' HD11 ' A' ' 43' ' ' LEU . 28.4 m170 -75.9 -39.77 55.66 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.175 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' CD1' HD13 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -57.98 -34.62 70.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 176.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -57.99 -43.48 86.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.247 0.546 . . . . 0.0 109.915 172.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.83 -34.03 68.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.017 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' HG ' ' CG ' ' A' ' 24' ' ' ASN . 11.0 mp -78.48 -0.51 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.175 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 t30 66.36 26.06 10.27 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.808 0.813 . . . . 0.0 110.732 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.42 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 57.5 mt -91.02 87.7 2.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.2 mmt -87.71 -11.08 49.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.053 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 25.6 m-20 -58.87 102.92 0.32 Allowed Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.662 0.601 . . . . 0.0 110.412 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 32.2 Cg_exo -58.77 -51.35 7.2 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.858 3.038 . . . . 0.0 114.055 -169.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.603 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.0 mt-30 -69.26 -36.02 76.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.179 0.514 . . . . 0.0 110.08 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.431 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 26.5 m170 -68.92 -37.96 79.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.888 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.643 ' O ' HD22 ' A' ' 55' ' ' LEU . 39.7 mtp85 -57.43 -53.42 58.32 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.029 171.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.521 ' HB2' ' CG ' ' B' ' 53' ' ' LYS . . . -53.02 -41.23 64.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.324 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 38.6 mtpt -64.76 -50.66 65.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.812 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 89.4 mt -54.05 -45.45 71.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.571 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.643 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.64 -44.75 95.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.816 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.589 HG22 ' O ' ' B' ' 53' ' ' LYS . 31.0 m -60.25 -42.27 94.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.304 0.573 . . . . 0.0 110.987 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.514 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -61.94 -45.41 93.79 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.255 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.64 89.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.5 mm-40 -57.6 -53.05 62.52 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.93 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' B' ' 57' ' ' ALA . 8.0 mp -70.62 -33.85 71.46 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.015 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 71.3 mt -67.85 -26.05 65.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.051 0.453 . . . . 0.0 110.775 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.454 HD23 ' NH2' ' B' ' 11' ' ' ARG . 34.6 tp -72.35 -32.9 66.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.584 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -99.93 -53.6 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.809 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -83.74 48.83 1.49 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.337 -174.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -80.96 47.47 1.0 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.398 0.618 . . . . 0.0 110.393 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 p 46.49 42.66 11.23 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.644 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.5 34.06 3.76 Favored Glycine 0 N--CA 1.454 -0.16 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.932 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.4 ' O ' ' HB ' ' B' ' 66' ' ' THR . 91.2 m 63.32 164.91 0.12 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.181 0.515 . . . . 0.0 112.076 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 -179.181 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.64 124.48 13.76 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.788 2.325 . . . . 0.0 112.235 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -98.5 -22.54 15.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.795 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -127.21 174.49 8.89 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.705 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.544 ' O ' HD22 ' B' ' 9' ' ' LEU . 2.7 tm? -59.68 -53.1 61.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.45 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.403 ' CD2' HG22 ' B' ' 18' ' ' THR . 11.6 t-160 -54.35 -42.52 70.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.193 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.92 -42.04 98.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.665 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.435 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.6 tm? -67.4 -43.37 81.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.377 -178.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.544 HD22 ' O ' ' B' ' 5' ' ' LEU . 4.1 mm? -60.69 -42.53 97.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.761 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.2 -35.5 81.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.765 0.316 . . . . 0.0 110.717 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.454 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -60.13 -46.25 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.489 -178.386 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.469 ' CG2' HG23 ' A' ' 56' ' ' THR . 36.8 pt -90.39 -13.57 9.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.777 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.31 26.14 14.64 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.922 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.512 ' O ' HD11 ' B' ' 9' ' ' LEU . 2.7 mm? -117.79 29.78 7.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.009 0.433 . . . . 0.0 110.154 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -22.42 60.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.11 176.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.74 -21.22 26.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.569 173.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -116.74 10.97 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.719 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.403 HG22 ' CD2' ' B' ' 6' ' ' HIS . 32.0 m -55.45 -50.95 68.5 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.027 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 25.0 t -64.09 -32.82 74.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.182 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 17.7 m -59.99 -53.9 52.37 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.153 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 3.0 mm? -58.3 -51.75 68.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.743 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.0 tp -51.56 -48.1 63.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.905 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' B' ' 19' ' ' SER . 90.9 mt -74.74 -26.5 59.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.591 -176.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.466 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 22.6 m-80 -89.91 6.69 40.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.89 0.376 . . . . 0.0 111.439 -177.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.96 1.51 42.15 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.866 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.455 ' HA ' ' CB ' ' B' ' 31' ' ' ASP . 96.2 m-85 -99.68 83.02 2.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.333 0.587 . . . . 0.0 109.727 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -106.9 -16.65 14.41 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.714 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 58.6 p -127.99 168.35 15.41 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.303 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.07 -29.19 70.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 109.446 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.33 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.487 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.455 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 54.9 m-20 -82.57 -45.1 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.011 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -63.17 -29.6 70.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.872 -173.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.35 -5.24 22.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.185 0.517 . . . . 0.0 111.031 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -103.17 -1.05 29.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.283 0.563 . . . . 0.0 110.03 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.422 HD13 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -72.3 129.52 38.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.115 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -130.06 166.25 20.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.114 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.81 -43.3 98.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.233 0.539 . . . . 0.0 110.658 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 63.1 m -59.12 -28.84 66.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.379 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.435 ' O ' HD11 ' B' ' 43' ' ' LEU . 28.0 m170 -76.17 -39.66 54.37 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.156 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.446 HD11 ' HA ' ' B' ' 40' ' ' LEU . 0.1 OUTLIER -58.08 -34.46 70.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.275 176.445 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -58.07 -43.42 86.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.168 0.509 . . . . 0.0 109.891 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.99 -33.87 68.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.932 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.466 ' HG ' ' CG ' ' B' ' 24' ' ' ASN . 10.9 mp -78.63 -0.07 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.079 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.17 25.54 10.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.788 0.804 . . . . 0.0 110.802 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.423 ' O ' ' HD2' ' B' ' 51' ' ' ARG . 56.5 mt -90.62 87.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.325 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 32.6 mmt -87.51 -11.72 48.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.066 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.432 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 23.5 m-20 -58.24 102.89 0.32 Allowed Pre-proline 0 N--CA 1.465 0.282 0 O-C-N 123.732 0.645 . . . . 0.0 110.429 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 34.0 Cg_exo -58.9 -51.13 7.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.87 3.046 . . . . 0.0 114.082 -169.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.623 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 53.5 mt-30 -69.44 -36.13 76.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.227 0.537 . . . . 0.0 110.061 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.432 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 26.0 m170 -68.72 -38.11 79.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.989 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.638 ' O ' HD22 ' B' ' 55' ' ' LEU . 40.5 mtp85 -57.39 -53.37 58.96 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.012 171.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.518 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . . . -53.18 -41.07 64.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.255 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 38.4 mtpt -64.79 -50.83 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 89.2 mt -53.99 -45.23 71.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.583 -179.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.638 HD22 ' O ' ' B' ' 51' ' ' ARG . 0.1 OUTLIER -62.98 -44.59 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.764 179.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 53' ' ' LYS . 30.9 m -60.27 -42.36 95.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.874 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.517 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -61.96 -45.36 93.98 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.316 178.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.29 89.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.6 mm-40 -57.89 -52.9 63.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.92 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 57' ' ' ALA . 7.9 mp -70.69 -33.84 71.33 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.064 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 71.9 mt -67.72 -26.02 65.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.127 0.489 . . . . 0.0 110.833 177.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -72.24 -33.22 67.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.552 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -100.07 -52.75 3.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.924 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.13 48.7 1.52 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.34 -174.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -80.82 47.27 0.96 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.473 0.654 . . . . 0.0 110.42 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 68' ' ' CYS . 22.1 p 46.71 42.83 12.16 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.494 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.68 33.81 3.86 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.838 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 87.5 m 63.61 164.65 0.12 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.269 0.557 . . . . 0.0 112.05 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.746 -179.425 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.448 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 30.1 Cg_exo -62.82 121.67 9.67 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.645 2.23 . . . . 0.0 112.228 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -98.94 -14.59 19.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.154 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.9 p -124.63 170.3 11.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.479 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' O ' HD21 ' A' ' 9' ' ' LEU . 2.2 tm? -63.48 -49.04 75.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.337 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -58.06 -42.25 85.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.058 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.44 -40.54 87.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.55 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.431 HD13 ' HB3' ' A' ' 57' ' ' ALA . 2.7 tm? -68.93 -42.7 76.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.339 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.536 HD21 ' O ' ' A' ' 5' ' ' LEU . 3.6 mm? -61.9 -41.46 97.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -68.57 -29.41 67.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 110.553 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' NH2' HD21 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -64.74 -39.85 94.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.453 -178.493 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.44 ' CG2' HG22 ' B' ' 56' ' ' THR . 41.9 pt -97.38 -11.25 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.898 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.74 32.18 9.45 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.837 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' O ' HD11 ' A' ' 9' ' ' LEU . 3.4 mm? -122.23 27.67 7.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.666 0.269 . . . . 0.0 110.688 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.67 -20.33 32.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.15 -20.78 60.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.248 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -116.08 8.99 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -54.62 -47.11 73.82 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.176 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.547 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 40.2 t -63.54 -40.02 95.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.098 177.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 m -54.59 -49.26 70.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.185 0.517 . . . . 0.0 110.444 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.4 mm? -63.32 -53.41 53.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.341 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -53.77 -43.33 69.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.222 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 19' ' ' SER . 93.2 mt -63.23 -35.21 79.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.003 0.43 . . . . 0.0 111.35 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -96.72 11.63 34.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.615 -174.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.59 -3.2 49.67 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.254 170.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 93.9 m-85 -88.82 76.45 7.97 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.051 0.453 . . . . 0.0 109.908 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -105.47 -12.09 16.14 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.826 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.2 p -127.04 165.18 19.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.375 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.24 -26.67 67.47 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.18 -31.67 72.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.426 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.449 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 62.6 m-20 -82.11 -41.49 20.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.138 0.494 . . . . 0.0 109.873 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.449 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 35.9 t80 -66.24 -27.98 68.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.571 -175.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -72.73 -4.6 32.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.18 0.514 . . . . 0.0 110.614 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -105.5 0.31 26.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 109.388 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.474 HD11 HD12 ' A' ' 40' ' ' LEU . 2.3 tm? -75.06 121.04 21.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.611 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.469 ' C ' HD11 ' A' ' 55' ' ' LEU . 36.4 mmt180 -126.18 162.5 25.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.901 -174.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.569 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.7 tt0 -58.73 -39.96 82.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.054 0.454 . . . . 0.0 110.785 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.3 m -58.51 -30.68 67.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.233 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.649 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 56.8 m170 -77.89 -29.73 50.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.017 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.511 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 8.7 mp -66.81 -32.48 73.78 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.709 0.29 . . . . 0.0 110.419 175.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -60.61 -36.72 79.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.294 0.569 . . . . 0.0 109.612 173.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.77 -37.25 65.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.274 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 53.0 mt -75.95 -8.78 57.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.232 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.89 23.15 6.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.375 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -86.54 84.88 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.681 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 24.0 mmt -90.06 -12.38 38.66 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.403 -173.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 3.1 m-20 -59.84 110.0 2.44 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-O 120.958 0.409 . . . . 0.0 110.29 177.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 31.7 Cg_exo -58.15 -51.85 6.91 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.919 3.079 . . . . 0.0 114.487 -170.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 35.3 mt-30 -65.63 -39.25 91.27 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.126 0.489 . . . . 0.0 110.089 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -64.62 -38.77 92.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.726 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.511 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 53.4 mtp180 -57.07 -57.25 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.184 171.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.516 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.55 -42.76 62.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.515 -176.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.593 ' O ' HG21 ' B' ' 56' ' ' THR . 33.0 mtpt -66.46 -50.62 62.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.911 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.9 mt -54.83 -45.93 74.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.523 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.599 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -65.87 -43.12 89.29 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.442 -179.684 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.558 HG21 ' O ' ' B' ' 53' ' ' LYS . 35.5 m -61.3 -40.55 94.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.18 0.514 . . . . 0.0 110.68 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -61.81 -45.29 94.5 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.255 176.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -41.41 92.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.6 mm-40 -57.56 -54.38 47.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.736 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.451 HD21 ' HA ' ' B' ' 57' ' ' ALA . 9.8 mp -69.43 -35.36 75.63 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.912 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 52.9 mt -64.78 -24.51 67.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.171 0.442 . . . . 0.0 111.346 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.504 HD21 ' NH2' ' B' ' 11' ' ' ARG . 37.1 tp -73.76 -34.61 64.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.77 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -101.06 -34.53 9.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.145 0.498 . . . . 0.0 111.804 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.443 ' C ' ' H ' ' A' ' 66' ' ' THR . 98.9 m-85 -107.05 48.54 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.432 -174.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.37 35.63 0.28 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.231 0.538 . . . . 0.0 110.741 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 64' ' ' TYR . 1.5 p 48.87 34.3 5.25 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.326 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.37 39.07 2.99 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m 62.71 161.63 0.09 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.316 0.646 . . . . 0.0 112.241 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.026 178.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.435 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 27.9 Cg_exo -62.85 121.63 9.6 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.593 2.196 . . . . 0.0 112.317 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -98.96 -14.34 19.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.264 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -124.95 170.48 11.07 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.334 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.544 ' O ' HD21 ' B' ' 9' ' ' LEU . 2.3 tm? -63.86 -48.91 74.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.224 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -57.98 -42.2 84.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.112 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -59.61 -40.32 87.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.586 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.43 ' HG ' HD12 ' B' ' 61' ' ' LEU . 2.7 tm? -69.03 -42.83 75.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.314 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.544 HD21 ' O ' ' B' ' 5' ' ' LEU . 3.6 mm? -61.7 -41.66 97.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -68.23 -29.77 68.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.894 0.378 . . . . 0.0 110.476 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.504 ' NH2' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.71 -39.74 94.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.357 -178.152 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.462 ' CG2' HG22 ' A' ' 56' ' ' THR . 41.7 pt -97.36 -11.2 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.803 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.27 32.78 9.27 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.73 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.514 ' O ' HD11 ' B' ' 9' ' ' LEU . 3.3 mm? -122.59 28.03 7.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.774 0.321 . . . . 0.0 110.667 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -58.11 -20.3 38.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.96 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.05 -20.48 58.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.21 176.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -116.21 8.9 14.47 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -54.66 -46.93 74.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.151 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 47.3 t -63.67 -40.31 96.51 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.129 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 11.9 m -54.19 -49.35 69.56 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.091 0.472 . . . . 0.0 110.42 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.4 mm? -63.29 -53.52 51.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.244 176.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -53.6 -43.32 68.5 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.267 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 19' ' ' SER . 93.2 mt -63.38 -35.07 79.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.065 0.46 . . . . 0.0 111.298 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -96.6 11.0 36.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.585 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.14 -3.38 47.8 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.245 170.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.496 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 93.4 m-85 -88.7 76.46 8.06 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.132 0.492 . . . . 0.0 109.891 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -105.66 -11.79 16.18 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.677 -174.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -127.29 165.13 20.27 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.324 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.27 -26.49 67.36 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 174.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.32 -31.95 73.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.372 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.453 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 62.7 m-20 -81.83 -41.44 21.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.047 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 36.2 t80 -66.36 -27.82 68.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.617 -175.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.14 -3.87 29.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.316 0.579 . . . . 0.0 110.607 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -105.9 0.04 25.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.773 0.797 . . . . 0.0 109.445 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.476 HD11 HD12 ' B' ' 40' ' ' LEU . 2.3 tm? -74.98 121.01 21.3 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.636 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.479 ' C ' HD11 ' B' ' 55' ' ' LEU . 36.4 mmt180 -126.15 162.37 25.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.924 -174.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.567 ' N ' HD11 ' B' ' 55' ' ' LEU . 44.5 tt0 -58.42 -39.94 81.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.036 0.446 . . . . 0.0 110.811 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.6 m -58.56 -30.8 67.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.512 0.672 . . . . 0.0 110.443 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.637 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 56.5 m170 -77.73 -29.94 51.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.839 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.511 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 8.7 mp -66.67 -32.53 73.9 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 110.421 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -60.49 -36.8 79.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.568 . . . . 0.0 109.582 173.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.83 -36.86 64.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.394 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 53.3 mt -76.17 -9.32 58.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.2 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 69.14 23.56 6.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.381 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 67.8 mt -86.98 84.89 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.609 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.494 ' HA ' ' HE2' ' B' ' 46' ' ' MET . 24.1 mmt -90.1 -12.16 39.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.46 -173.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.71 109.91 2.34 Favored Pre-proline 0 N--CA 1.464 0.275 0 O-C-N 123.442 0.464 . . . . 0.0 110.396 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.06 -52.01 6.67 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.976 3.117 . . . . 0.0 114.438 -170.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.587 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 35.8 mt-30 -65.54 -39.4 91.71 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.089 0.471 . . . . 0.0 110.224 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -64.51 -38.7 91.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.692 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.511 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 53.3 mtp180 -57.23 -57.11 14.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.182 171.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.62 -42.78 62.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.604 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.587 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 32.9 mtpt -66.29 -50.68 62.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.87 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.9 -45.91 74.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.484 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.5 OUTLIER -65.94 -42.99 89.34 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.454 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.593 HG21 ' O ' ' A' ' 53' ' ' LYS . 34.6 m -61.44 -40.42 94.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.085 0.469 . . . . 0.0 110.757 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -61.89 -45.21 94.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 176.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -41.44 92.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.7 mm-40 -57.55 -54.5 46.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.637 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.467 HD21 ' HA ' ' A' ' 57' ' ' ALA . 9.8 mp -69.31 -35.42 75.95 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.963 -176.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 53.2 mt -64.82 -24.29 67.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 118.192 0.451 . . . . 0.0 111.346 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.499 HD21 ' NH2' ' A' ' 11' ' ' ARG . 37.6 tp -74.34 -33.78 63.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -101.79 -34.24 9.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.073 0.463 . . . . 0.0 111.793 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . 0.448 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 98.9 m-85 -107.28 48.62 0.83 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.457 -174.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.41 ' C ' ' HG1' ' B' ' 66' ' ' THR . 9.1 p-10 -79.34 35.12 0.27 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.175 0.512 . . . . 0.0 110.893 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.438 ' H ' ' C ' ' B' ' 64' ' ' TYR . 1.4 p 49.42 34.35 6.55 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.196 -175.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.49 38.4 3.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.631 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 81.7 m 62.98 161.43 0.09 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.546 0.688 . . . . 0.0 112.278 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.188 178.836 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 112.316 -0.313 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.79 123.14 10.1 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.836 2.357 . . . . 0.0 112.3 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -100.76 -6.53 24.81 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.62 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.2 p -125.65 163.97 21.63 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.191 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.508 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.6 tm? -65.44 -43.35 90.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.968 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.57 -48.15 75.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.938 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.35 -31.8 73.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.839 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.461 ' HG ' HD12 ' A' ' 61' ' ' LEU . 2.9 tm? -70.3 -42.22 72.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.533 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 14' ' ' LEU . 3.8 mm? -62.17 -39.61 93.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 44.1 mt-10 -68.86 -30.47 69.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.919 0.39 . . . . 0.0 110.446 176.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -41.44 96.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.979 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG2' HG22 ' B' ' 56' ' ' THR . 41.2 pt -92.84 -14.6 8.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.889 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.42 27.49 13.11 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.812 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' HD13 ' A' ' 9' ' ' LEU . 3.8 mm? -119.09 31.39 6.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.96 0.41 . . . . 0.0 110.127 178.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 12.8 pt-20 -59.61 -19.11 46.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.816 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.6 pt-20 -60.87 -19.69 60.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.082 175.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.47 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 78.4 m-70 -120.09 9.91 11.28 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.1 m -54.53 -48.08 72.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 110.475 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.56 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 23.0 t -64.72 -37.12 86.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.115 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.0 m -55.19 -49.3 72.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.038 0.447 . . . . 0.0 110.45 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.7 mm? -64.12 -51.42 64.05 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.444 177.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.423 ' CD1' HD13 ' A' ' 5' ' ' LEU . 5.7 mp -54.19 -44.93 72.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.087 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 19' ' ' SER . 90.1 mt -67.52 -25.39 65.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.329 -177.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -100.95 11.24 40.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.088 0.471 . . . . 0.0 111.446 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.12 -10.19 56.71 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.793 -0.717 . . . . 0.0 113.083 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.467 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.3 m-85 -83.34 76.24 9.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.114 0.483 . . . . 0.0 109.849 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -108.74 -1.75 19.13 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.467 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.6 p -133.87 157.94 44.68 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.147 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.81 -26.39 65.16 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.766 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.67 -24.4 59.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.014 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.7 -35.43 15.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.508 ' CD2' HD21 ' A' ' 5' ' ' LEU . 44.4 t80 -67.45 -25.8 66.08 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.308 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 18.2 ptpt -69.67 -4.27 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.811 -0.555 . . . . 0.0 110.68 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.71 0.93 33.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.69 175.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.28 131.31 43.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.708 -179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -132.03 166.55 21.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.926 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.473 ' N ' HD13 ' A' ' 55' ' ' LEU . 44.2 tt0 -67.98 -37.49 81.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.081 0.467 . . . . 0.0 109.759 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -60.51 -30.9 70.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.835 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.732 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 65.6 m170 -76.13 -31.24 58.52 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.746 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.581 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 6.9 mp -68.45 -31.83 71.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.83 175.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.12 -32.56 71.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.482 0.658 . . . . 0.0 109.505 172.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 12.0 mm-40 -78.16 -37.5 45.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.353 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.732 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 62.7 mt -78.15 -3.3 41.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.287 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 67.77 28.62 7.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.772 0.796 . . . . 0.0 110.168 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.4 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 54.0 mt -100.69 77.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.494 178.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.4 -9.13 57.96 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.992 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 21.9 m-20 -60.68 109.53 2.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.569 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 48.9 Cg_exo -56.02 -46.91 27.67 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.963 3.109 . . . . 0.0 114.281 -171.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.579 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 51.6 mt-30 -69.34 -36.88 77.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.349 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -66.74 -39.71 88.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.581 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 41.8 mtp180 -57.53 -54.77 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.248 171.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB2' ' CG ' ' B' ' 53' ' ' LYS . . . -52.18 -43.64 64.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.397 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 27.9 mtpt -67.72 -53.21 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.139 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.7 mt -56.0 -42.71 76.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.412 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 3.7 mm? -64.9 -43.87 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.544 HG21 ' O ' ' B' ' 53' ' ' LYS . 48.2 m -64.57 -38.57 91.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.061 0.458 . . . . 0.0 110.658 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.76 -45.0 96.03 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.967 175.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.21 99.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 9.0 mm-40 -57.63 -52.66 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.952 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.46 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.0 mp -68.57 -43.93 75.52 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.579 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 HD12 ' HG ' ' A' ' 8' ' ' LEU . 77.2 mt -59.92 -27.15 66.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.251 0.478 . . . . 0.0 111.122 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 50.8 tp -62.32 -37.51 85.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.737 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -106.66 -25.77 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.369 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 98.3 m-85 -116.24 37.91 3.55 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -170.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' C ' ' HG1' ' A' ' 66' ' ' THR . 6.9 p-10 -78.84 48.99 0.87 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.37 0.605 . . . . 0.0 111.234 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.454 ' HG1' ' C ' ' A' ' 65' ' ' ASP . 17.4 p 50.51 35.46 11.36 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.611 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.13 33.98 4.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.842 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 91.7 m 63.14 174.94 0.15 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.881 0.472 . . . . 0.0 112.154 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.532 179.796 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.8 123.35 10.32 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.889 2.392 . . . . 0.0 112.197 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -100.87 -7.07 23.87 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.567 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.1 p -125.14 163.7 21.85 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.279 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.512 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.6 tm? -65.17 -43.46 91.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.937 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.37 -48.21 74.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.914 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.4 -31.59 72.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.967 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.478 ' HG ' HD12 ' B' ' 61' ' ' LEU . 2.9 tm? -70.47 -42.0 72.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.635 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.484 HD13 ' O ' ' B' ' 14' ' ' LEU . 3.8 mm? -62.41 -39.56 93.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.84 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 44.9 mt-10 -69.07 -30.24 68.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.909 0.385 . . . . 0.0 110.46 176.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.4 ' NH1' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.22 -41.48 97.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.087 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.458 ' CG2' HG22 ' A' ' 56' ' ' THR . 40.9 pt -93.08 -14.22 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.891 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.09 27.4 13.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.795 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.484 ' O ' HD13 ' B' ' 9' ' ' LEU . 3.7 mm? -119.01 31.16 6.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.903 0.382 . . . . 0.0 110.144 178.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.415 ' HB3' ' HG2' ' B' ' 10' ' ' GLU . 12.7 pt-20 -59.53 -19.04 45.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.758 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.459 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 11.6 pt-20 -61.04 -19.63 61.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.025 175.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.459 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 78.7 m-70 -120.12 10.06 11.31 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -175.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.8 m -54.81 -47.58 73.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.945 0.402 . . . . 0.0 110.563 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.556 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 22.7 t -65.15 -37.39 87.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.919 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.7 m -54.82 -49.4 71.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.953 0.406 . . . . 0.0 110.491 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.474 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.7 mm? -64.08 -51.56 63.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.38 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.425 ' CD1' HD13 ' B' ' 5' ' ' LEU . 5.7 mp -54.02 -45.32 71.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.053 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' B' ' 19' ' ' SER . 90.9 mt -67.1 -25.19 66.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.399 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -101.04 11.06 40.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.183 0.516 . . . . 0.0 111.48 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.2 -10.41 56.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.075 171.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.474 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.1 m-85 -83.11 76.07 9.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.2 0.524 . . . . 0.0 109.896 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -108.67 -1.8 19.19 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.561 -176.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.1 p -133.71 158.03 44.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.347 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 73.6 mt -68.61 -26.77 65.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.705 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.37 -24.28 60.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.056 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -89.93 -35.51 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.144 0.497 . . . . 0.0 109.685 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.512 ' CD2' HD21 ' B' ' 5' ' ' LEU . 44.1 t80 -67.3 -25.56 66.09 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.3 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.441 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 18.3 ptpt -69.67 -4.64 20.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.808 -0.558 . . . . 0.0 110.662 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.24 0.66 34.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.802 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.15 131.34 43.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.786 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -132.22 166.31 22.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.9 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.478 ' N ' HD13 ' B' ' 55' ' ' LEU . 43.7 tt0 -67.5 -37.58 83.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.136 0.493 . . . . 0.0 109.861 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 17.9 m -60.77 -30.73 70.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.811 174.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.74 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 65.8 m170 -75.98 -31.35 58.96 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.818 178.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.575 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 6.9 mp -68.55 -31.69 71.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.769 175.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.26 -32.36 71.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.371 0.605 . . . . 0.0 109.453 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' B' ' 39' ' ' HIS . 11.2 mm-40 -78.35 -37.31 44.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.431 176.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 63.1 mt -78.28 -3.54 43.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.286 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 68.1 28.26 6.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.193 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.413 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 54.4 mt -100.26 77.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.529 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 26.1 mmt -85.34 -8.63 58.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.949 -175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -61.16 109.83 2.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.571 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -56.11 -46.68 29.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.938 3.092 . . . . 0.0 114.243 -171.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 51.5 mt-30 -69.67 -36.76 76.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.934 0.397 . . . . 0.0 110.32 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -66.77 -39.7 87.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 42.1 mtp180 -57.5 -54.78 42.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.315 171.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . . . -52.2 -43.57 64.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.438 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 27.9 mtpt -67.68 -53.22 29.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.138 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -55.89 -42.89 76.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.327 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.525 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 3.7 mm? -64.88 -43.67 92.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.541 HG21 ' O ' ' A' ' 53' ' ' LYS . 50.8 m -64.69 -38.55 91.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.929 0.395 . . . . 0.0 110.501 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.46 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.95 -45.05 96.28 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.889 176.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.13 99.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.031 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 10.5 mm-40 -57.74 -52.66 64.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.882 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.1 mp -68.56 -44.02 75.38 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.665 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.478 HD12 ' HG ' ' B' ' 8' ' ' LEU . 77.1 mt -59.88 -27.34 66.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.139 0.427 . . . . 0.0 111.061 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' B' ' 59' ' ' GLU . 50.0 tp -61.88 -38.14 87.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.812 177.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -106.07 -26.06 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.27 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 98.3 m-85 -115.87 37.94 3.48 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -170.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.439 ' C ' ' HG1' ' B' ' 66' ' ' THR . 6.8 p-10 -78.83 49.14 0.88 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.38 0.61 . . . . 0.0 111.22 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.439 ' HG1' ' C ' ' B' ' 65' ' ' ASP . 17.1 p 50.31 35.75 11.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.565 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.34 34.33 4.03 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.905 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 92.9 m 62.82 174.55 0.15 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.113 0.482 . . . . 0.0 112.117 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.671 -0.681 . . . . 0.0 110.333 179.439 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 112.412 -0.275 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' HD3' ' OD2' ' B' ' 63' ' ' ASP . 3.2 Cg_exo -76.43 121.41 6.02 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.772 2.314 . . . . 0.0 111.884 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -102.3 -22.35 14.15 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.193 0.521 . . . . 0.0 109.911 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.459 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 48.8 p -114.87 171.07 7.87 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.501 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.5 tm? -63.22 -47.11 83.88 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.28 -178.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.442 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 53.7 t-80 -53.37 -46.67 69.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.369 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.459 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 24.9 mm-40 -68.46 -33.49 74.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.435 -176.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' HG ' HD13 ' A' ' 61' ' ' LEU . 3.0 tm? -66.76 -42.73 85.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.1 mm? -62.2 -38.25 88.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.09 -31.78 69.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.832 0.349 . . . . 0.0 110.556 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.476 ' HD2' ' HB3' ' B' ' 59' ' ' GLU . 14.3 tpp180 -61.2 -43.75 98.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' CG2' HG22 ' B' ' 56' ' ' THR . 40.3 pt -91.18 -12.86 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.873 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.79 20.45 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.544 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 9' ' ' LEU . 3.9 mm? -118.35 30.32 7.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.926 0.394 . . . . 0.0 110.272 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.3 pt-20 -59.28 -19.26 44.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -58.21 -21.69 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.047 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -121.22 12.69 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.987 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.497 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 13.3 m -56.52 -47.11 80.07 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.452 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.482 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.3 m -64.13 -35.78 81.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.413 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -58.24 -51.87 67.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.062 0.458 . . . . 0.0 110.1 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.1 mm? -63.19 -52.87 60.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.14 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 tp -52.16 -48.48 64.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.969 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 19' ' ' SER . 92.9 mt -70.87 -26.93 63.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.471 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -96.14 18.8 12.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.624 -176.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.31 -7.54 56.53 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.704 -0.76 . . . . 0.0 113.0 170.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.482 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 95.0 m-85 -90.92 82.3 5.65 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.269 0.556 . . . . 0.0 109.963 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -109.5 -17.57 13.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.932 -174.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 p -125.25 168.79 12.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -68.69 -27.45 65.97 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.37 -28.89 67.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.545 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.452 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 61.1 m-20 -78.63 -48.07 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.009 0.433 . . . . 0.0 109.856 175.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.409 ' CD2' HD22 ' A' ' 5' ' ' LEU . 42.5 t80 -63.38 -27.93 69.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.909 -173.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 17.6 ptpt -67.12 -9.4 39.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.012 -0.43 . . . . 0.0 111.021 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -100.07 2.81 43.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.392 0.615 . . . . 0.0 110.215 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.17 132.26 44.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.444 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -128.64 162.78 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.12 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' N ' HD13 ' A' ' 55' ' ' LEU . 45.1 tt0 -65.86 -40.78 91.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.931 0.396 . . . . 0.0 110.249 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 38.8 m -61.78 -26.09 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.096 176.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.74 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 37.3 m170 -75.45 -35.0 61.0 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 5.4 mp -65.75 -34.33 77.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.538 174.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.2 m-20 -58.17 -36.52 73.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.424 0.63 . . . . 0.0 109.909 171.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 38' ' ' THR . 18.8 mm-40 -74.04 -39.89 63.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.555 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.74 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 49.2 mt -78.25 -5.58 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.971 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 66.97 32.29 6.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.452 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 64.7 mt -94.62 79.99 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 175.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.45 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 2.2 mmt -88.08 -11.04 48.29 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.455 -172.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 9.1 m-20 -59.12 110.1 2.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.475 177.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 32.0 Cg_exo -58.33 -49.15 13.02 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.893 3.062 . . . . 0.0 114.391 -170.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.574 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.5 mt-30 -68.58 -35.08 76.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.091 0.472 . . . . 0.0 109.945 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -67.63 -39.43 84.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.405 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 41.9 mtp180 -57.87 -53.54 57.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.262 171.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.444 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.57 -43.11 65.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.364 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.578 ' O ' HG21 ' B' ' 56' ' ' THR . 29.0 mtpt -66.39 -51.73 54.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.975 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -55.73 -43.93 77.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.402 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 37' ' ' GLU . 3.9 mm? -65.8 -40.67 92.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.433 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.56 HG21 ' O ' ' B' ' 53' ' ' LYS . 40.8 m -65.17 -41.49 94.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.07 0.462 . . . . 0.0 110.633 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' O ' ' HG ' ' A' ' 61' ' ' LEU . . . -61.33 -43.51 98.74 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.113 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.59 92.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.495 ' HB3' ' HD2' ' B' ' 11' ' ' ARG . 30.4 mm-40 -57.98 -48.62 79.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.529 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' B' ' 57' ' ' ALA . 7.3 mp -68.4 -48.24 65.2 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.44 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 60.9 mt -56.77 -25.89 56.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.622 0.248 . . . . 0.0 111.236 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.04 -42.18 76.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.456 ' OD2' ' HD3' ' B' ' 2' ' ' PRO . 40.6 m-20 -107.87 -28.79 9.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.037 0.446 . . . . 0.0 112.142 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.467 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 98.2 m-85 -104.88 29.43 6.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -169.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.48 ' C ' ' HG1' ' A' ' 66' ' ' THR . 8.6 p-10 -78.37 55.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.332 0.587 . . . . 0.0 112.035 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.48 ' HG1' ' C ' ' A' ' 65' ' ' ASP . 29.4 p 49.6 39.38 17.11 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.757 0.823 . . . . 0.0 112.538 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.49 27.19 9.05 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.315 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.6 m 59.77 -171.52 0.13 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.091 0.472 . . . . 0.0 111.8 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.524 -0.751 . . . . 0.0 110.226 178.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 112.261 -0.336 . . . . 0.0 112.261 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.456 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 2.8 Cg_exo -76.13 121.64 6.25 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.752 2.301 . . . . 0.0 111.798 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -102.64 -22.19 14.01 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.178 0.513 . . . . 0.0 109.972 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.452 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 48.6 p -114.57 171.65 7.51 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.508 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.477 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.5 tm? -63.89 -46.98 82.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.098 -178.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.441 ' HA ' ' CG2' ' B' ' 18' ' ' THR . 53.6 t-80 -53.37 -46.69 69.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.405 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.452 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.2 mm-40 -68.42 -33.5 74.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.498 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.432 ' HG ' HD13 ' B' ' 61' ' ' LEU . 3.0 tm? -66.82 -42.7 85.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.484 HD13 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -62.23 -38.17 88.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -70.07 -31.92 69.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.769 0.318 . . . . 0.0 110.428 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.495 ' HD2' ' HB3' ' A' ' 59' ' ' GLU . 14.3 tpp180 -61.11 -43.97 98.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.587 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.475 ' CG2' HG22 ' A' ' 56' ' ' THR . 40.0 pt -90.93 -13.18 9.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.791 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.13 28.52 20.23 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.556 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.484 ' O ' HD13 ' B' ' 9' ' ' LEU . 3.9 mm? -118.14 30.17 7.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.813 0.34 . . . . 0.0 110.212 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.493 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 12.3 pt-20 -59.21 -18.88 40.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.577 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -59.06 -20.2 51.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.142 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -122.19 12.94 10.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.996 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 14.3 m -56.71 -47.17 80.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.406 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.473 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 15.2 m -63.99 -36.05 82.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.312 178.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -57.96 -51.97 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.033 0.444 . . . . 0.0 110.064 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.0 mm? -63.2 -52.81 60.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.239 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 tp -52.15 -48.58 64.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.826 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 19' ' ' SER . 92.8 mt -70.72 -27.17 63.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.515 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -95.98 18.6 13.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.974 0.416 . . . . 0.0 111.605 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.68 -7.9 56.0 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.009 170.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.47 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 95.1 m-85 -90.67 82.51 5.77 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.313 0.578 . . . . 0.0 110.146 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -109.62 -17.53 13.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.966 -173.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 53.0 p -125.34 169.16 12.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.458 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.79 -26.9 65.44 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.26 -28.42 66.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.542 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 58.1 m-20 -78.92 -48.0 15.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.075 0.464 . . . . 0.0 109.8 175.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.414 ' CD2' HD22 ' B' ' 5' ' ' LEU . 42.5 t80 -63.29 -27.9 69.65 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.926 -173.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 17.7 ptpt -67.21 -9.29 38.78 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.143 178.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -100.24 3.05 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.329 0.585 . . . . 0.0 110.108 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.36 132.03 44.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.33 -178.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -128.62 162.82 26.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.063 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.478 ' N ' HD13 ' B' ' 55' ' ' LEU . 45.3 tt0 -65.78 -40.64 92.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 0.0 110.4 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 51.7 m -62.18 -25.63 67.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.351 0.596 . . . . 0.0 110.226 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.737 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 37.8 m170 -75.52 -34.84 60.81 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.449 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 5.4 mp -66.01 -34.33 77.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.355 174.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' B' ' 38' ' ' THR . 6.1 m-20 -58.26 -36.49 73.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.336 0.589 . . . . 0.0 109.761 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' B' ' 38' ' ' THR . 22.7 mm-40 -73.91 -40.01 63.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.63 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 48.7 mt -78.17 -5.42 51.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.068 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 67.11 31.65 6.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.449 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 64.4 mt -94.23 79.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.966 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.461 ' HA ' ' HE2' ' B' ' 46' ' ' MET . 2.1 mmt -87.61 -11.22 49.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.571 -172.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -58.85 110.08 2.37 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.362 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.41 -49.46 12.11 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.936 3.091 . . . . 0.0 114.342 -170.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.578 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.8 mt-30 -68.28 -35.1 77.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.061 0.458 . . . . 0.0 109.977 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -67.72 -39.53 84.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.383 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.423 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 42.3 mtp180 -57.46 -53.84 53.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.275 171.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.449 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.55 -43.05 64.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.252 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 29.1 mtpt -66.34 -51.76 54.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.991 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 88.7 mt -55.73 -44.07 77.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.372 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.478 HD13 ' N ' ' B' ' 37' ' ' GLU . 3.9 mm? -65.7 -40.66 92.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.421 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 53' ' ' LYS . 40.6 m -65.29 -41.38 94.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.13 0.49 . . . . 0.0 110.631 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.465 ' O ' ' HG ' ' B' ' 61' ' ' LEU . . . -61.33 -43.53 98.71 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.073 177.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.59 92.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.791 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.476 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 32.2 mm-40 -57.87 -48.58 79.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.505 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.458 HD21 ' HA ' ' A' ' 57' ' ' ALA . 7.3 mp -68.6 -48.14 64.9 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.372 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 60.9 mt -56.9 -25.87 57.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.761 0.255 . . . . 0.0 111.281 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.95 -42.12 75.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 177.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.436 ' OD2' ' HD3' ' A' ' 2' ' ' PRO . 38.1 m-20 -108.32 -28.02 9.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.171 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . 0.467 ' HB3' ' O ' ' A' ' 64' ' ' TYR . 98.2 m-85 -105.51 29.53 6.45 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -169.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.471 ' C ' ' HG1' ' B' ' 66' ' ' THR . 8.9 p-10 -78.62 56.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.367 0.603 . . . . 0.0 111.979 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.471 ' HG1' ' C ' ' B' ' 65' ' ' ASP . 31.1 p 49.53 39.2 16.39 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.806 0.842 . . . . 0.0 112.536 177.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.75 27.94 8.43 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.346 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.5 m 59.4 -171.17 0.12 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.044 0.449 . . . . 0.0 111.86 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.18 178.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -61.26 114.16 2.08 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.67 2.247 . . . . 0.0 112.064 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -87.42 -20.54 26.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.431 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.6 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 70.9 p -123.41 170.13 10.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.184 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 32' ' ' PHE . 2.2 tm? -65.49 -43.11 91.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.87 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -53.76 -47.19 70.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.088 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.6 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 26.7 mm-40 -67.04 -31.8 72.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.349 -177.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.47 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -69.63 -43.32 72.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.118 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.509 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.1 mm? -63.0 -41.16 99.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.867 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.67 -28.01 67.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.008 0.432 . . . . 0.0 110.369 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' NH2' HD22 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -67.18 -44.62 79.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.183 -178.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.486 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.2 pt -93.02 -6.78 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.901 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.7 28.28 24.51 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.787 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.5 mm? -119.46 28.41 8.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.847 0.356 . . . . 0.0 110.569 177.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.6 pt-20 -59.42 -17.31 29.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.831 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.63 -23.12 67.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.091 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -114.34 7.46 16.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.876 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.474 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 7.2 m -54.88 -44.02 73.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.794 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.54 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 29.4 m -57.66 -42.26 83.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.874 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -56.54 -48.08 78.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.93 0.395 . . . . 0.0 110.712 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -63.74 -52.47 60.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.169 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' CD1' HD12 ' A' ' 5' ' ' LEU . 6.0 mp -55.38 -41.37 72.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.232 -178.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 19' ' ' SER . 89.2 mt -69.86 -26.62 64.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.856 0.36 . . . . 0.0 111.336 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -100.6 12.34 37.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.968 0.413 . . . . 0.0 111.373 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.44 -8.95 58.86 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.111 171.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.45 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 87.1 m-85 -83.7 73.34 10.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.228 0.537 . . . . 0.0 109.757 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -104.61 -9.58 18.15 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.165 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.8 p -128.2 160.43 32.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.277 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.2 mt -69.01 -27.62 65.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.386 0.613 . . . . 0.0 109.686 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.493 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 44.3 mt-10 -68.52 -27.98 66.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.757 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -90.41 -38.34 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.094 0.474 . . . . 0.0 110.094 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.536 ' CD2' HD22 ' A' ' 5' ' ' LEU . 66.0 t80 -64.88 -26.93 68.54 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.054 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 17.2 ptpt -67.73 -12.44 60.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.184 0.516 . . . . 0.0 110.965 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -96.79 -4.3 40.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.678 0.751 . . . . 0.0 109.427 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.534 ' HB3' ' O ' ' A' ' 32' ' ' PHE . 2.9 tm? -74.97 123.66 25.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.045 177.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -131.32 174.68 9.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.052 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.96 -45.76 91.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.1 m -59.42 -27.26 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.322 0.582 . . . . 0.0 110.323 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.713 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 13.3 m170 -76.64 -34.52 58.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.888 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.545 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 6.7 mp -67.26 -31.88 72.52 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 176.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -60.21 -33.17 71.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.303 0.573 . . . . 0.0 109.625 173.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -78.06 -38.2 44.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.435 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 60.7 mt -77.07 -3.11 37.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.354 -177.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.6 t30 71.28 14.56 6.51 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.623 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.411 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 61.2 mt -82.57 77.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.668 0.746 . . . . 0.0 109.226 177.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.491 ' HE1' ' HA ' ' A' ' 46' ' ' MET . 3.8 mmt -84.18 -3.13 57.94 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.341 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.518 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 62.4 m-20 -58.15 107.01 0.79 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.882 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.65 -52.08 4.23 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.399 2.733 . . . . 0.0 114.077 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.4 mt-30 -71.64 -34.24 69.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.329 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.518 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 60.7 m170 -67.16 -39.5 86.49 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.822 178.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.548 ' O ' HD21 ' A' ' 55' ' ' LEU . 32.0 mtp180 -54.69 -55.11 33.22 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.792 170.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' HB3' ' CG ' ' B' ' 53' ' ' LYS . . . -51.68 -44.29 63.06 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.459 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 30.4 mtpt -68.19 -53.93 21.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.147 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -53.11 -45.8 68.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.102 0.477 . . . . 0.0 111.335 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -64.84 -46.25 82.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.733 -178.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.515 HG22 ' O ' ' B' ' 53' ' ' LYS . 81.2 m -59.9 -40.04 87.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.012 0.434 . . . . 0.0 110.889 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -58.88 -48.72 80.4 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.052 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.5 91.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.286 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 16.0 mm-40 -56.36 -54.9 40.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.26 0.552 . . . . 0.0 110.046 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' B' ' 57' ' ' ALA . 7.6 mp -67.39 -40.3 85.64 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.78 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.47 HD11 ' HG ' ' A' ' 8' ' ' LEU . 95.2 mt -64.28 -21.87 66.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.789 0.328 . . . . 0.0 111.725 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.572 HD22 ' NH2' ' B' ' 11' ' ' ARG . 34.4 tp -74.55 -26.92 60.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.949 0.404 . . . . 0.0 110.563 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -105.61 -45.31 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.859 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -93.04 47.91 1.3 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.034 -174.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' CG ' ' HZ1' ' A' ' 33' ' ' LYS . 24.2 t70 -81.67 53.47 2.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.418 -178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.4 p 41.92 38.51 1.04 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.611 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.76 32.15 6.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.658 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 63.9 m 62.57 178.36 0.14 Allowed 'General case' 0 C--O 1.233 0.229 0 C-N-CA 122.705 0.402 . . . . 0.0 111.483 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.244 0.816 0 CA-C-O 118.533 -0.746 . . . . 0.0 109.909 177.008 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.961 -0.456 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.28 114.0 2.01 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.721 2.28 . . . . 0.0 112.114 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -87.39 -20.21 27.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.447 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.595 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 73.9 p -123.54 170.22 10.63 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.064 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' B' ' 32' ' ' PHE . 2.3 tm? -65.73 -42.98 90.38 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.74 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -53.6 -47.08 70.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.215 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.595 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 31.9 mm-40 -67.22 -31.78 72.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 -177.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.466 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -69.71 -43.27 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.156 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.512 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.1 mm? -63.01 -41.25 99.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.801 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.403 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 42.1 mt-10 -67.5 -28.16 67.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.368 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.572 ' NH2' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -67.18 -44.41 79.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.198 -178.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.476 ' CG2' HG23 ' A' ' 56' ' ' THR . 38.9 pt -93.0 -7.04 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.867 -176.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.69 28.24 24.65 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.944 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.512 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.5 mm? -119.25 28.35 8.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 120.815 0.34 . . . . 0.0 110.554 177.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.477 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.9 pt-20 -59.6 -16.98 29.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.79 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.07 -22.35 66.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.181 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -115.02 7.55 15.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.882 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.477 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 7.2 m -54.85 -43.92 73.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 110.764 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.527 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 24.1 m -58.18 -42.14 85.44 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.723 178.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -56.27 -48.26 76.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.0 110.685 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.449 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -63.68 -52.42 60.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.234 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.416 ' CD1' HD12 ' B' ' 5' ' ' LEU . 6.0 mp -55.51 -41.51 73.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.153 -178.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.7 mt -69.56 -26.81 64.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.402 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -100.33 11.97 38.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.114 0.483 . . . . 0.0 111.406 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.53 -8.6 58.53 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.02 171.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.449 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 87.2 m-85 -83.84 73.45 10.31 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.157 0.504 . . . . 0.0 109.76 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -104.85 -9.63 17.89 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.226 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 74.1 p -128.04 160.09 33.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.286 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.66 -27.62 66.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.368 0.604 . . . . 0.0 109.824 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.478 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 44.1 mt-10 -68.45 -28.15 66.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.883 178.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -90.02 -38.27 13.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.168 0.509 . . . . 0.0 110.055 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.534 ' CD2' HD22 ' B' ' 5' ' ' LEU . 66.0 t80 -65.11 -27.02 68.46 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.928 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.478 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 17.2 ptpt -67.72 -12.73 61.16 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.879 -0.513 . . . . 0.0 110.957 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -96.44 -4.24 42.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.582 0.706 . . . . 0.0 109.419 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.529 ' HB3' ' O ' ' B' ' 32' ' ' PHE . 2.9 tm? -75.08 123.76 25.79 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.073 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -131.3 174.82 9.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.958 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.06 -45.72 91.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 -177.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 26.3 m -59.4 -27.43 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.332 0.587 . . . . 0.0 110.288 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.716 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 13.3 m170 -76.52 -34.47 58.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.83 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.535 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 6.7 mp -67.32 -31.98 72.63 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.777 176.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.03 -33.6 72.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.391 0.615 . . . . 0.0 109.63 173.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.52 -38.47 48.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.481 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.716 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 61.3 mt -76.81 -3.53 38.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.378 -177.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 9.4 t30 71.83 14.3 5.98 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 110.465 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.429 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 61.1 mt -82.31 77.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.675 0.75 . . . . 0.0 109.205 177.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.499 ' HE1' ' HA ' ' B' ' 46' ' ' MET . 4.0 mmt -84.24 -3.1 57.98 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.276 -177.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.501 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 62.8 m-20 -58.4 106.81 0.76 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.809 175.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.63 -51.82 4.58 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.418 2.746 . . . . 0.0 114.139 -170.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.562 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 52.6 mt-30 -71.79 -34.26 69.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.079 0.466 . . . . 0.0 110.238 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.501 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 60.4 m170 -67.1 -39.66 86.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.737 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.547 ' O ' HD21 ' B' ' 55' ' ' LEU . 32.5 mtp180 -54.47 -55.2 31.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.73 170.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.497 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . . . -51.72 -44.38 63.21 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.424 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 30.4 mtpt -68.12 -53.81 22.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.216 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 77.9 mt -53.23 -45.85 68.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.066 0.46 . . . . 0.0 111.242 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.641 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -64.77 -46.35 82.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.702 -178.665 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 53' ' ' LYS . 82.9 m -59.83 -39.93 86.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.042 0.449 . . . . 0.0 110.855 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.459 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.1 -48.43 81.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.053 176.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.58 92.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.277 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 16.2 mm-40 -56.25 -54.95 39.3 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.407 0.622 . . . . 0.0 110.126 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.6 mp -67.46 -40.13 85.35 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.783 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.466 HD11 ' HG ' ' B' ' 8' ' ' LEU . 94.8 mt -64.42 -21.76 66.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.865 0.364 . . . . 0.0 111.717 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.541 HD22 ' NH2' ' A' ' 11' ' ' ARG . 34.2 tp -74.4 -27.33 60.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.043 0.449 . . . . 0.0 110.486 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -105.28 -45.23 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.934 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.14 48.12 1.31 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.072 -174.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.424 ' CG ' ' HZ1' ' B' ' 33' ' ' LYS . 24.6 t70 -81.79 52.57 1.95 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.169 0.509 . . . . 0.0 110.474 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 p 42.62 38.42 1.28 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.663 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.61 32.01 6.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.679 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 63.2 m 62.77 178.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.716 0.407 . . . . 0.0 111.514 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.906 176.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 111.991 -0.443 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.07 123.74 9.5 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.869 2.38 . . . . 0.0 112.426 -178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -101.36 -14.78 17.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.067 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.452 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 24.3 p -131.37 173.8 10.71 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.524 -178.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.3 tm? -63.42 -51.47 65.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.961 -174.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -53.15 -42.08 65.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.405 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 28.4 mm-40 -68.9 -33.38 73.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.38 -176.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -69.49 -41.12 76.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.806 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' ' 5' ' ' LEU . 3.9 mm? -62.37 -40.95 98.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.834 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.92 -33.47 75.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.086 0.469 . . . . 0.0 110.406 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.497 HH22 HD23 ' B' ' 62' ' ' LEU . 0.1 OUTLIER -62.2 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.388 -179.028 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CG2' HG21 ' B' ' 56' ' ' THR . 39.6 pt -92.35 -12.48 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.786 -177.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.16 33.08 9.06 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.944 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 9' ' ' LEU . 2.2 mm? -124.97 30.63 5.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.72 0.295 . . . . 0.0 110.599 177.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -59.55 -19.8 51.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.676 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.62 -21.38 62.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.299 175.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -117.07 9.8 13.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.86 -175.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 m -57.07 -48.39 78.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.758 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.532 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 19.0 m -60.67 -35.26 75.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.278 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 m -58.85 -49.18 78.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.116 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -60.0 -52.46 65.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.072 176.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.405 ' CD1' HD13 ' A' ' 5' ' ' LEU . 7.2 mp -54.64 -42.68 71.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.517 . . . . 0.0 112.058 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.8 mt -68.5 -25.88 65.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.948 0.404 . . . . 0.0 111.338 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.49 ' ND2' ' HG ' ' A' ' 43' ' ' LEU . 31.5 m-80 -99.72 12.36 36.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.238 0.542 . . . . 0.0 111.257 -178.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.5 -10.94 59.62 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.781 171.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 94.1 m-85 -83.85 72.86 10.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.191 0.519 . . . . 0.0 110.15 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -101.92 -6.45 23.48 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.119 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -131.77 160.46 35.49 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.165 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.18 -27.1 65.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.432 0.634 . . . . 0.0 109.301 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 25.7 tp10 -66.77 -31.54 72.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.692 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -87.03 -40.24 14.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.14 0.495 . . . . 0.0 109.806 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' CD1' HD21 ' A' ' 5' ' ' LEU . 55.5 t80 -63.4 -27.97 69.67 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.975 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 16.7 ptpt -66.95 -4.66 10.1 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.029 -0.419 . . . . 0.0 111.452 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -105.49 5.07 31.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.236 0.541 . . . . 0.0 110.285 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 3.4 tm? -72.11 126.04 28.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.492 -177.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 35' ' ' LEU . 20.6 mmt180 -128.26 169.71 13.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.424 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' HB2' HD22 ' A' ' 55' ' ' LEU . 43.9 tt0 -60.96 -46.79 89.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.827 0.346 . . . . 0.0 110.777 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 12.0 m -57.15 -25.26 58.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.802 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' O ' HD12 ' A' ' 43' ' ' LEU . 37.1 m170 -76.42 -42.66 43.4 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.367 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.525 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 2.1 mp -61.33 -30.35 70.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.037 177.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.5 m-20 -55.23 -38.48 68.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.003 171.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.59 -35.83 39.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.661 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' HG ' ' ND2' ' A' ' 24' ' ' ASN . 11.0 mp -76.54 -2.21 31.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.524 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.39 18.81 5.45 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.833 0.825 . . . . 0.0 110.072 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.525 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 57.7 mt -91.75 77.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.401 0.62 . . . . 0.0 109.422 177.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.432 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 2.0 mmt -82.7 -10.65 58.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.399 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 54.6 m-20 -51.71 105.95 0.59 Allowed Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.349 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.65 -49.25 10.68 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.578 2.852 . . . . 0.0 114.009 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.9 mt-30 -70.14 -36.92 75.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.128 0.49 . . . . 0.0 110.204 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.563 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 23.2 m170 -67.26 -40.01 86.15 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.481 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HA ' HD23 ' A' ' 40' ' ' LEU . 42.5 mtp180 -55.49 -52.58 63.19 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.027 171.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.511 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.01 -42.5 65.69 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.131 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.557 ' O ' HG23 ' B' ' 56' ' ' THR . 27.9 mtpt -68.71 -53.81 19.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.7 mt -54.99 -42.77 72.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.29 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.575 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -63.28 -48.27 78.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.477 179.316 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.526 HG23 ' O ' ' B' ' 53' ' ' LYS . 54.9 m -61.26 -40.94 95.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.021 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.475 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -58.97 -48.03 83.0 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.889 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.32 97.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 39.9 mm-40 -56.31 -55.36 34.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.313 0.578 . . . . 0.0 110.289 177.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.7 mp -66.05 -45.74 80.29 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.547 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 8' ' ' LEU . 83.7 mt -59.69 -20.75 58.35 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD23 HH22 ' B' ' 11' ' ' ARG . 31.7 tp -74.98 -27.45 60.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.014 0.435 . . . . 0.0 110.795 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -110.02 -33.53 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.833 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.594 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 98.3 m-85 -106.24 41.83 1.36 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.221 -173.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.96 39.52 0.5 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.969 0.414 . . . . 0.0 111.475 -178.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.4 p 47.98 35.63 5.27 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.565 0.746 . . . . 0.0 112.324 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.3 28.91 9.63 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.076 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.8 m 66.85 159.28 0.14 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.246 0.618 . . . . 0.0 111.484 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.49 177.739 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -71.96 123.55 9.39 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.841 2.361 . . . . 0.0 112.457 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -101.2 -14.72 17.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.056 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 24.0 p -131.54 173.59 10.96 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.515 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.514 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -63.28 -51.67 65.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.87 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -53.01 -41.95 65.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.487 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.443 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 28.6 mm-40 -69.09 -33.25 73.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.49 -176.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.459 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -69.44 -41.19 76.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.778 179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.514 HD23 ' O ' ' B' ' 5' ' ' LEU . 3.9 mm? -62.37 -40.69 97.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.848 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -67.26 -33.2 74.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.379 . . . . 0.0 110.375 176.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.438 HH22 HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -62.3 -44.12 97.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.326 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.501 ' CG2' HG21 ' A' ' 56' ' ' THR . 39.8 pt -92.15 -12.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.614 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.88 33.29 9.13 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.936 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.506 ' O ' HD11 ' B' ' 9' ' ' LEU . 2.2 mm? -124.86 30.25 5.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.774 0.321 . . . . 0.0 110.661 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -59.11 -19.99 49.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.739 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -60.19 -21.97 62.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.37 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -116.74 9.67 14.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.95 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.4 m -57.04 -48.27 78.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.03 0.443 . . . . 0.0 110.774 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.541 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 17.4 m -60.61 -35.47 76.23 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.245 177.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -58.79 -49.14 78.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 0.0 110.111 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -60.06 -52.46 65.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.055 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.405 ' CD1' HD13 ' B' ' 5' ' ' LEU . 7.2 mp -54.6 -42.73 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.032 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 19' ' ' SER . 92.0 mt -68.62 -25.79 65.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.997 0.427 . . . . 0.0 111.269 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.497 ' ND2' ' HG ' ' B' ' 43' ' ' LEU . 33.0 m-80 -99.74 12.7 35.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.236 0.541 . . . . 0.0 111.102 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.07 -10.77 60.29 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.834 171.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.458 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 94.0 m-85 -83.92 72.9 10.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.194 0.521 . . . . 0.0 110.206 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -102.11 -6.07 23.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.033 -177.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.9 p -131.98 160.43 35.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.108 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.13 -27.29 65.44 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.448 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 26.5 tp10 -66.87 -31.3 71.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.586 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.98 -40.65 14.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.124 0.488 . . . . 0.0 109.846 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.431 ' CD1' HD21 ' B' ' 5' ' ' LEU . 55.3 t80 -63.11 -28.08 69.83 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.006 -177.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 16.7 ptpt -66.75 -4.63 9.5 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.022 -0.424 . . . . 0.0 111.465 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -105.48 4.99 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.2 0.524 . . . . 0.0 110.286 176.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.486 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 3.4 tm? -72.16 125.9 28.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.402 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' B' ' 35' ' ' LEU . 20.5 mmt180 -128.17 170.05 13.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 -178.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.436 ' HB2' HD22 ' B' ' 55' ' ' LEU . 43.3 tt0 -61.43 -46.54 89.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.6 m -57.58 -25.03 59.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.725 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.421 ' O ' HD12 ' B' ' 43' ' ' LEU . 37.6 m170 -76.32 -42.79 43.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.432 178.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.527 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 2.1 mp -61.21 -30.38 70.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.124 177.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.34 -38.27 68.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.013 171.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -79.99 -35.03 38.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.497 ' HG ' ' ND2' ' B' ' 24' ' ' ASN . 10.9 mp -77.17 -2.16 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.434 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.21 18.76 5.64 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.749 0.785 . . . . 0.0 110.233 178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.527 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 57.5 mt -91.62 77.49 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.452 177.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.434 ' HA ' ' HE2' ' B' ' 46' ' ' MET . 2.0 mmt -83.03 -10.79 58.57 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.236 -177.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.583 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 52.0 m-20 -51.33 105.9 0.58 Allowed Pre-proline 0 C--O 1.224 -0.246 0 O-C-N 124.222 0.951 . . . . 0.0 110.355 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.52 -49.46 10.4 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.468 2.778 . . . . 0.0 114.088 -171.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.1 mt-30 -69.96 -36.84 75.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.07 0.462 . . . . 0.0 110.283 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 22.7 m170 -67.26 -40.05 86.17 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.49 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.479 ' HA ' HD23 ' B' ' 40' ' ' LEU . 42.3 mtp180 -55.51 -52.31 64.1 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.109 171.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.492 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.31 -42.58 66.81 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.159 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.526 ' O ' HG23 ' A' ' 56' ' ' THR . 28.1 mtpt -68.59 -53.73 20.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.128 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -55.04 -42.76 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.28 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.565 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.1 OUTLIER -63.4 -48.13 79.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.465 179.303 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 53' ' ' LYS . 55.2 m -61.27 -41.05 96.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.985 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.437 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -58.84 -48.03 82.78 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.893 176.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.21 96.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.346 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 39.3 mm-40 -56.41 -55.12 37.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.184 0.516 . . . . 0.0 110.346 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.7 mp -66.31 -45.62 79.71 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.587 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.459 HD11 ' HG ' ' B' ' 8' ' ' LEU . 84.7 mt -59.74 -20.58 57.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.497 HD23 HH22 ' A' ' 11' ' ' ARG . 31.7 tp -75.26 -27.25 59.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.773 0.32 . . . . 0.0 110.789 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -110.25 -33.66 6.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.13 0.49 . . . . 0.0 111.73 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . 0.594 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 98.3 m-85 -105.91 41.65 1.37 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.287 -173.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -80.76 39.38 0.48 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.903 0.382 . . . . 0.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.4 p 48.01 35.7 5.42 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.517 0.727 . . . . 0.0 112.355 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.45 29.18 9.29 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.85 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 63.3 m 66.47 159.04 0.13 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.191 0.597 . . . . 0.0 111.521 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.337 177.602 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.827 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.432 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 22.2 Cg_exo -65.17 119.76 6.85 Favored 'Trans proline' 0 CA--C 1.516 -0.4 0 C-N-CA 122.921 2.414 . . . . 0.0 113.161 -174.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -99.8 -15.37 18.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.654 174.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.8 p -127.11 170.21 12.6 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.73 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.529 ' O ' HD21 ' A' ' 9' ' ' LEU . 2.3 tm? -61.18 -53.44 56.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.611 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.427 ' CD2' HG22 ' A' ' 18' ' ' THR . 18.2 t-160 -56.36 -42.03 77.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 2' ' ' PRO . 29.1 mm-40 -58.94 -42.46 89.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.798 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.489 ' HG ' HD13 ' A' ' 61' ' ' LEU . 2.8 tm? -67.61 -43.07 81.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.529 HD21 ' O ' ' A' ' 5' ' ' LEU . 4.1 mm? -60.35 -41.46 93.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.98 -30.07 68.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -48.57 72.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.861 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' CG2' HG23 ' B' ' 56' ' ' THR . 36.8 pt -86.04 -15.39 10.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.653 -176.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.21 34.13 7.3 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.787 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.517 ' O ' HD11 ' A' ' 9' ' ' LEU . 2.2 mm? -123.22 32.38 5.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.955 0.407 . . . . 0.0 110.508 176.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 10.9 pt-20 -60.05 -18.86 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.752 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.0 -23.5 65.45 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.986 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -114.05 9.05 17.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.941 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.459 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 12.9 m -56.31 -47.7 78.18 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.545 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 14.0 t -61.87 -35.35 78.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.175 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -57.17 -54.52 45.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.947 0.403 . . . . 0.0 110.269 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.5 mm? -61.93 -50.91 70.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.142 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.2 -45.48 72.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.067 -175.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 19' ' ' SER . 68.6 mt -74.63 -28.82 61.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.446 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -92.37 10.31 30.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.009 0.433 . . . . 0.0 111.547 -175.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.41 -12.37 47.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.051 171.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.459 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 96.4 m-85 -83.27 69.92 10.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.357 0.598 . . . . 0.0 109.479 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -98.44 -10.56 23.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.653 -174.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.8 p -130.46 159.18 37.82 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.338 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.75 -27.3 68.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.461 0.648 . . . . 0.0 109.361 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.29 -33.5 76.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.826 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.7 -36.03 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.196 0.522 . . . . 0.0 109.932 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 57.0 t80 -64.91 -28.5 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.729 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.22 -8.99 50.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.902 -0.499 . . . . 0.0 110.831 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -101.34 -1.26 33.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.498 0.666 . . . . 0.0 109.639 175.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.462 ' HB3' ' O ' ' A' ' 32' ' ' PHE . 2.0 tm? -73.74 115.53 13.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.028 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.428 ' C ' HD11 ' A' ' 55' ' ' LEU . 30.3 mmt180 -122.69 162.12 22.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.256 -172.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.8 tt0 -53.97 -44.81 71.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.908 0.385 . . . . 0.0 111.577 -173.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 21.0 m -62.14 -26.22 68.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.291 0.567 . . . . 0.0 110.472 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.739 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 51.1 m170 -75.78 -36.8 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 8.5 mp -61.88 -37.11 83.34 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.857 0.361 . . . . 0.0 110.1 174.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.8 m-20 -55.59 -40.89 72.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.958 172.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -70.87 -37.73 73.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.755 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 49.6 mt -80.21 -2.0 43.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.298 -177.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 t30 65.57 26.1 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.48 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -85.4 77.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' A' ' 46' ' ' MET . 5.0 mmt -95.37 28.53 2.86 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.44 -174.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.489 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 42.0 m-20 -92.7 98.8 2.4 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.283 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.459 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 72.3 Cg_exo -50.03 -54.97 4.58 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 123.386 2.724 . . . . 0.0 114.543 -167.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 48.4 mt-30 -68.31 -37.42 80.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.26 0.552 . . . . 0.0 110.389 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.489 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 25.6 m170 -66.26 -38.12 87.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.618 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.489 ' O ' HD21 ' A' ' 55' ' ' LEU . 48.7 mtp180 -55.02 -57.71 10.59 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.828 170.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB2' ' CG ' ' B' ' 53' ' ' LYS . . . -52.15 -40.75 61.84 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.473 -176.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' CG ' ' HB2' ' B' ' 52' ' ' ALA . 32.8 mtpt -64.83 -51.83 59.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.811 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.0 mt -54.19 -46.12 72.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.603 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.57 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -65.69 -41.24 92.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.26 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.558 HG22 ' O ' ' B' ' 53' ' ' LYS . 42.1 m -63.16 -39.37 94.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.153 0.502 . . . . 0.0 110.561 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.447 ' HB3' HD11 ' A' ' 8' ' ' LEU . . . -60.26 -47.75 84.67 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.938 175.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.28 79.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.173 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 6.2 mm-40 -60.51 -54.53 44.41 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.084 178.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.7 mp -71.67 -29.61 64.79 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.781 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' HG ' ' A' ' 8' ' ' LEU . 87.6 mt -69.44 -24.23 63.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.255 0.55 . . . . 0.0 110.49 175.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.426 HD23 HH22 ' A' ' 36' ' ' ARG . 52.2 tp -74.31 -43.67 55.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.587 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -91.14 -41.81 10.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' B' ' 2' ' ' PRO . 97.1 m-85 -97.18 49.52 1.06 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.982 0.42 . . . . 0.0 110.765 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -80.16 51.55 1.4 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.5 0.667 . . . . 0.0 110.423 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' B' ' 68' ' ' CYS . 25.8 p 44.86 39.96 3.98 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 114.986 -1.007 . . . . 0.0 113.03 177.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.17 37.57 3.2 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.788 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.416 ' O ' ' HB ' ' B' ' 66' ' ' THR . 98.4 m 61.29 171.3 0.11 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.946 0.498 . . . . 0.0 111.849 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.641 -178.122 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.425 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 22.1 Cg_exo -65.28 119.5 6.53 Favored 'Trans proline' 0 CA--C 1.516 -0.396 0 C-N-CA 123.013 2.476 . . . . 0.0 113.152 -174.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -99.5 -15.72 18.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.662 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 44.3 p -126.95 170.26 12.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.802 -176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.512 ' O ' HD21 ' B' ' 9' ' ' LEU . 2.3 tm? -61.33 -53.34 57.98 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.588 -177.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.432 ' CD2' HG22 ' B' ' 18' ' ' THR . 18.2 t-160 -56.38 -42.02 77.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -178.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -59.04 -42.38 90.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.722 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.501 ' HG ' HD13 ' B' ' 61' ' ' LEU . 2.8 tm? -67.48 -43.16 81.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.393 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.512 HD21 ' O ' ' B' ' 5' ' ' LEU . 4.1 mm? -60.35 -41.62 94.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.737 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.85 -30.3 68.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.891 0.377 . . . . 0.0 110.779 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -48.77 72.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.864 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.455 ' CG2' HG23 ' A' ' 56' ' ' THR . 36.7 pt -85.74 -15.75 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.743 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.54 34.08 7.19 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.892 174.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.505 ' O ' HD11 ' B' ' 9' ' ' LEU . 2.2 mm? -123.15 32.41 5.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.955 0.407 . . . . 0.0 110.507 176.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.46 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.1 pt-20 -60.08 -18.51 47.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.728 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.19 -23.45 65.6 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.054 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -114.24 9.05 16.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.875 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.46 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 12.0 m -56.27 -47.44 78.58 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.743 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.55 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 13.1 t -62.15 -35.02 77.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.211 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.1 m -57.71 -54.25 48.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.036 0.446 . . . . 0.0 110.272 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.5 mm? -61.76 -51.15 69.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.055 177.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.31 -45.09 72.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.095 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 19' ' ' SER . 68.1 mt -74.99 -28.61 60.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.03 0.443 . . . . 0.0 111.531 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -92.87 11.38 27.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.633 -175.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.95 -13.09 49.59 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.999 171.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.466 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.4 m-85 -82.99 69.8 9.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.389 0.614 . . . . 0.0 109.586 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -98.31 -10.36 24.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.71 -174.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 74.5 p -130.48 159.21 37.75 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.369 -177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.83 -27.05 67.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.438 0.637 . . . . 0.0 109.335 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.27 -34.2 77.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.563 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.28 -35.92 16.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.218 0.533 . . . . 0.0 109.888 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.469 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 56.8 t80 -64.88 -28.41 69.52 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.797 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.22 -9.16 51.72 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.898 -0.501 . . . . 0.0 110.844 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -101.09 -1.61 33.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.549 0.69 . . . . 0.0 109.675 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' B' ' 32' ' ' PHE . 2.0 tm? -73.4 115.44 12.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.185 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.428 ' C ' HD11 ' B' ' 55' ' ' LEU . 30.2 mmt180 -122.52 162.36 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.407 -172.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.442 ' N ' HD11 ' B' ' 55' ' ' LEU . 45.2 tt0 -54.19 -44.64 71.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.836 0.35 . . . . 0.0 111.62 -173.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' B' ' 41' ' ' ASN . 20.5 m -62.31 -26.25 68.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.319 0.581 . . . . 0.0 110.533 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.764 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 51.0 m170 -75.87 -36.41 59.57 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 8.6 mp -62.06 -37.01 83.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 120.862 0.363 . . . . 0.0 110.093 174.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' B' ' 38' ' ' THR . 7.0 m-20 -55.45 -41.31 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.006 172.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -70.64 -37.62 73.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.744 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.764 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 48.4 mt -80.16 -2.11 43.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.359 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 t30 65.4 26.74 11.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.726 0.774 . . . . 0.0 110.456 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.4 mt -86.1 77.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.478 ' HE1' ' HA ' ' B' ' 46' ' ' MET . 4.9 mmt -95.33 28.44 2.89 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.439 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.518 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 40.0 m-20 -92.39 98.69 2.23 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.28 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.457 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 73.4 Cg_exo -50.0 -55.0 4.55 Favored 'Trans proline' 0 N--CA 1.474 0.348 0 C-N-CA 123.474 2.783 . . . . 0.0 114.428 -167.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.564 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 48.1 mt-30 -68.38 -37.42 80.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.196 0.522 . . . . 0.0 110.378 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.518 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 25.4 m170 -66.29 -38.16 87.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.643 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.509 ' O ' HD21 ' B' ' 55' ' ' LEU . 48.5 mtp180 -54.86 -57.88 9.84 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.801 170.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.564 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . . . -52.15 -40.64 61.68 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.461 -176.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.564 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 32.8 mtpt -64.9 -51.93 59.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.82 176.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 92.7 mt -54.11 -46.06 72.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.597 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.582 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.4 OUTLIER -65.7 -41.3 92.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.346 -179.611 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 53' ' ' LYS . 44.3 m -63.06 -39.29 94.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.511 . . . . 0.0 110.54 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.466 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.34 -47.74 84.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.941 175.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.23 79.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 6.0 mm-40 -60.66 -54.55 43.97 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.078 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.7 mp -71.49 -29.69 65.1 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.813 -177.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.501 HD13 ' HG ' ' B' ' 8' ' ' LEU . 86.8 mt -69.49 -24.23 63.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.147 0.499 . . . . 0.0 110.443 175.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.424 HD23 HH22 ' B' ' 36' ' ' ARG . 52.0 tp -74.29 -43.65 55.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.566 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -91.44 -41.33 10.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . 0.432 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 97.2 m-85 -97.28 49.26 1.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.976 0.417 . . . . 0.0 110.811 -175.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.82 51.52 1.33 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.465 0.65 . . . . 0.0 110.415 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 68' ' ' CYS . 23.4 p 45.0 39.97 4.12 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.922 177.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.5 37.81 3.2 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.772 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.421 ' O ' ' HB ' ' A' ' 66' ' ' THR . 98.5 m 61.48 171.24 0.11 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 111.979 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.556 -178.339 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.483 ' HA3' ' OD1' ' B' ' 63' ' ' ASP . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.483 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 19.5 Cg_exo -65.26 121.38 8.82 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.633 2.222 . . . . 0.0 112.062 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -106.33 -12.13 15.78 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -121.51 164.92 16.42 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.594 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' O ' HD22 ' A' ' 9' ' ' LEU . 2.2 tm? -58.62 -53.53 57.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.94 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.51 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 11.9 t-160 -55.34 -43.53 75.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.491 -177.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.26 -41.45 88.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.156 0.503 . . . . 0.0 110.902 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.6 tm? -67.68 -43.97 78.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.016 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.528 HD22 ' O ' ' A' ' 5' ' ' LEU . 4.0 mm? -59.65 -40.35 87.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.575 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 49.8 mt-10 -63.26 -37.52 87.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.081 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 11' ' ' ARG . 22.5 ttt180 -70.33 -43.95 69.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -176.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' CG2' HG23 ' B' ' 56' ' ' THR . 43.2 pt -81.72 -13.91 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.104 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.2 25.87 13.42 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.1 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' O ' HD13 ' A' ' 9' ' ' LEU . 2.4 mm? -121.81 29.91 6.91 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.757 0.313 . . . . 0.0 110.755 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 9.7 pt-20 -60.0 -21.5 61.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.678 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.81 -23.05 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.127 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -109.17 3.82 22.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.721 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 24.7 m -52.78 -47.89 67.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.907 0.384 . . . . 0.0 111.091 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.566 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.5 m -60.07 -39.94 87.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.628 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.443 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 32.7 m -56.38 -49.53 74.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 0.0 110.552 177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.1 mm? -61.69 -54.19 46.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.986 176.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 27' ' ' GLN . 20.7 tp -51.06 -49.49 60.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.749 -177.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 19' ' ' SER . 97.5 mt -65.16 -35.14 80.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -91.22 14.46 14.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.107 0.479 . . . . 0.0 111.588 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -7.73 50.59 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.112 170.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.47 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 94.5 m-85 -87.44 75.6 9.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.534 0.683 . . . . 0.0 109.615 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' HA ' HD12 ' A' ' 22' ' ' LEU . 40.8 mt-30 -97.94 -18.55 18.59 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.671 -173.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 p -129.14 168.93 15.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.728 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.16 -25.07 65.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 0.0 109.603 174.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 43.2 mt-10 -71.3 -25.22 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.542 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 47.8 m-20 -83.42 -46.27 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.36 0.6 . . . . 0.0 109.638 173.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.17 -25.31 68.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.986 -173.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.4 ptpt -66.86 -9.83 41.81 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.027 -0.421 . . . . 0.0 111.691 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -108.64 8.02 26.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.346 0.593 . . . . 0.0 110.269 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' A' ' 40' ' ' LEU . 3.2 tm? -71.22 125.88 28.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.697 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' C ' HD12 ' A' ' 55' ' ' LEU . 35.6 mmt180 -124.59 165.76 17.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -177.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.543 ' N ' HD12 ' A' ' 55' ' ' LEU . 44.4 tt0 -64.8 -37.49 87.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.953 0.406 . . . . 0.0 110.153 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.0 m -58.17 -31.09 66.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.948 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.762 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 25.5 m170 -75.96 -35.8 59.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.185 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.471 HD21 ' HG2' ' A' ' 51' ' ' ARG . 4.5 mp -64.09 -32.91 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.816 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -57.81 -41.98 83.31 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.72 -35.56 70.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.71 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 47.3 mt -79.78 -2.05 41.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.044 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.5 t30 67.64 21.25 9.42 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.609 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.404 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 60.6 mt -87.82 75.85 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.577 0.704 . . . . 0.0 109.203 177.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.458 ' HE3' ' HA ' ' A' ' 46' ' ' MET . 2.8 mmt -82.31 -9.13 59.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.793 -178.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.535 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 39.1 m-20 -50.58 105.63 0.54 Allowed Pre-proline 0 C--O 1.223 -0.295 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.353 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.96 -50.67 5.84 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.26 2.64 . . . . 0.0 114.097 -171.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 53.2 mt-30 -71.25 -36.13 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 59.1 m170 -66.19 -41.53 90.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.798 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' HG2' HD21 ' A' ' 40' ' ' LEU . 51.1 mtp180 -53.61 -54.79 32.55 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.695 170.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.507 ' HB3' ' CG ' ' B' ' 53' ' ' LYS . . . -51.13 -43.23 61.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.399 -177.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 26.4 mtpt -68.54 -50.74 49.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.93 178.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.6 mt -54.83 -46.04 74.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.841 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -67.09 -35.68 80.32 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.451 -179.018 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.519 HG22 ' O ' ' B' ' 53' ' ' LYS . 36.0 m -67.88 -41.01 83.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.164 0.506 . . . . 0.0 110.138 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HA ' HD23 ' B' ' 60' ' ' LEU . . . -61.09 -45.78 93.3 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.048 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.72 92.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.981 177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -57.28 -55.29 36.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.29 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' B' ' 57' ' ' ALA . 11.3 mp -72.61 -26.88 61.85 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.742 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.485 ' O ' ' HB3' ' A' ' 65' ' ' ASP . 72.0 mt -73.94 -24.02 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.805 -0.559 . . . . 0.0 110.824 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.7 tp -76.14 -33.69 59.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.788 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.463 ' OD1' ' HA3' ' B' ' 1' ' ' GLY . 35.1 t70 -103.72 -44.16 5.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.092 0.472 . . . . 0.0 112.019 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.681 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 86.6 m-85 -98.04 41.44 1.13 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.06 -173.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' HB3' ' O ' ' A' ' 61' ' ' LEU . 15.8 p-10 -78.45 44.09 0.5 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.253 0.549 . . . . 0.0 111.385 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.1 p 48.64 33.25 4.03 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.274 -0.876 . . . . 0.0 112.579 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.21 36.34 3.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.066 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 81.3 m 61.6 176.81 0.12 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.078 0.466 . . . . 0.0 111.545 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.604 -0.713 . . . . 0.0 110.147 178.847 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.463 ' HA3' ' OD1' ' A' ' 63' ' ' ASP . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.496 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 19.8 Cg_exo -65.2 121.2 8.59 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.566 2.177 . . . . 0.0 112.146 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -106.05 -12.05 15.92 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.7 p -121.58 164.95 16.42 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.6 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.526 ' O ' HD22 ' B' ' 9' ' ' LEU . 2.2 tm? -58.77 -53.48 57.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.858 -176.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.523 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 11.8 t-160 -55.14 -43.57 74.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.607 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.58 -40.85 88.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.08 0.467 . . . . 0.0 110.957 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.439 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.6 tm? -68.11 -43.91 77.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.932 -178.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.526 HD22 ' O ' ' B' ' 5' ' ' LEU . 4.0 mm? -59.75 -40.41 88.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.611 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 49.7 mt-10 -63.39 -37.36 86.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.009 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -70.32 -44.26 68.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.018 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.444 ' CG2' HG23 ' A' ' 56' ' ' THR . 43.0 pt -81.53 -13.73 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.152 -177.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.91 25.97 13.69 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.105 173.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.414 ' O ' HD13 ' B' ' 9' ' ' LEU . 2.4 mm? -121.71 29.71 7.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.714 0.293 . . . . 0.0 110.775 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.418 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 9.9 pt-20 -59.97 -21.26 61.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.748 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.99 -23.02 67.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.15 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -109.14 3.9 22.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.626 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.418 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 24.9 m -53.02 -47.59 68.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.809 0.338 . . . . 0.0 111.042 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.566 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 10.8 m -60.54 -39.88 89.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.555 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' THR . . . . . 0.452 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 35.7 m -56.19 -49.61 73.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.597 177.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.1 mm? -61.66 -54.06 47.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.999 176.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 27' ' ' GLN . 21.1 tp -51.15 -49.34 61.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.74 -177.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 19' ' ' SER . 98.2 mt -65.33 -35.27 80.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.381 -177.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -91.04 14.46 13.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.633 -175.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.83 -7.84 49.79 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.619 -0.801 . . . . 0.0 113.024 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.476 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 94.7 m-85 -87.35 75.68 9.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.594 0.712 . . . . 0.0 109.609 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' B' ' 22' ' ' LEU . 41.0 mt-30 -97.88 -18.85 18.46 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.536 -173.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 62.3 p -128.91 169.17 14.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.65 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.27 -25.05 65.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.404 0.621 . . . . 0.0 109.614 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.451 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 43.4 mt-10 -71.38 -24.94 62.17 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.527 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.445 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 50.1 m-20 -83.62 -46.32 12.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.31 0.576 . . . . 0.0 109.582 173.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -64.11 -25.23 68.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.177 -0.92 . . . . 0.0 112.078 -173.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.4 ptpt -67.02 -9.67 41.51 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.07 -0.394 . . . . 0.0 111.666 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -108.81 8.27 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.462 0.649 . . . . 0.0 110.278 176.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' B' ' 40' ' ' LEU . 3.2 tm? -71.3 126.05 28.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.616 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.499 ' C ' HD12 ' B' ' 55' ' ' LEU . 35.6 mmt180 -124.73 165.73 17.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.998 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.541 ' N ' HD12 ' B' ' 55' ' ' LEU . 44.2 tt0 -65.08 -37.3 87.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.997 0.427 . . . . 0.0 110.065 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 14.5 m -58.05 -31.25 66.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.986 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.743 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 26.5 m170 -75.97 -35.91 59.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.126 -179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.462 HD21 ' HG2' ' B' ' 51' ' ' ARG . 4.4 mp -63.93 -32.92 74.62 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.779 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.01 -41.73 83.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 172.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.01 -35.08 69.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.851 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 47.3 mt -80.22 -1.86 42.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.948 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 3.5 t30 67.84 20.98 9.22 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.52 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.41 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 61.1 mt -87.93 76.01 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 177.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.455 ' HA ' ' HE3' ' B' ' 46' ' ' MET . 2.8 mmt -82.32 -9.42 59.48 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.865 -178.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.539 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 34.0 m-20 -50.29 105.66 0.54 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.452 176.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.9 -50.91 5.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.373 2.716 . . . . 0.0 113.996 -171.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.532 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 53.6 mt-30 -71.41 -35.86 71.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.51 . . . . 0.0 110.037 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.539 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 59.0 m170 -66.28 -41.83 89.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.705 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.462 ' HG2' HD21 ' B' ' 40' ' ' LEU . 51.0 mtp180 -53.35 -54.76 31.96 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.731 170.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.522 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . . . -51.02 -43.46 60.88 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.506 -177.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 26.3 mtpt -68.44 -50.7 50.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.914 178.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.3 mt -54.76 -46.14 74.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.924 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.541 HD12 ' N ' ' B' ' 37' ' ' GLU . 0.5 OUTLIER -67.1 -35.62 80.17 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.446 -179.099 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 53' ' ' LYS . 36.3 m -67.78 -41.17 83.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.18 0.515 . . . . 0.0 110.131 178.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.463 ' HA ' HD23 ' A' ' 60' ' ' LEU . . . -60.96 -45.87 93.02 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.016 176.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.65 93.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.921 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.43 -55.09 39.32 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.32 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 57' ' ' ALA . 11.3 mp -72.55 -27.01 61.95 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.792 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.494 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 71.4 mt -73.85 -24.04 59.7 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.795 -0.566 . . . . 0.0 110.853 175.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 46.4 tp -76.22 -33.36 59.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.706 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.483 ' OD1' ' HA3' ' A' ' 1' ' ' GLY . 34.8 t70 -104.09 -44.24 5.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.242 0.544 . . . . 0.0 112.068 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . 0.681 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 87.0 m-85 -97.89 41.51 1.12 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.003 -173.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.494 ' HB3' ' O ' ' B' ' 61' ' ' LEU . 14.3 p-10 -78.58 44.17 0.51 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.342 0.591 . . . . 0.0 111.435 -176.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 p 48.53 33.48 4.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.462 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.08 36.4 3.4 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.181 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.4 m 61.55 176.5 0.12 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.822 0.449 . . . . 0.0 111.516 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.126 178.471 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.484 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 15.7 Cg_exo -67.93 103.11 0.83 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.302 2.001 . . . . 0.0 112.037 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -87.14 -18.72 29.77 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.713 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 p -123.81 165.02 18.04 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.824 -177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.538 HD22 ' CD2' ' A' ' 32' ' ' PHE . 2.3 tm? -60.02 -47.26 86.57 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.857 -176.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.2 -41.44 62.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.039 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.6 -32.21 67.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.641 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.484 ' HG ' HD13 ' A' ' 61' ' ' LEU . 2.8 tm? -70.04 -38.1 75.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.537 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -61.66 -36.64 81.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.09 -32.0 71.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.929 0.395 . . . . 0.0 110.39 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -38.78 92.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.973 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.535 ' CG2' HG22 ' B' ' 56' ' ' THR . 38.0 pt -98.06 -12.96 8.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.899 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.33 31.93 11.1 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.71 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.509 ' O ' HD13 ' A' ' 9' ' ' LEU . 2.3 mm? -122.67 31.45 6.08 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 120.814 0.34 . . . . 0.0 110.757 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.511 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 15.1 pt-20 -61.02 -17.05 50.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.511 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.4 -22.91 65.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.962 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -117.52 11.69 13.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.652 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.511 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 26.4 m -54.97 -47.76 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.777 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.4 p -61.66 -36.8 81.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.626 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.404 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 24.4 m -57.05 -53.07 62.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.298 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -63.02 -52.39 63.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.185 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.8 tp -53.34 -47.39 69.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.844 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.9 mt -71.72 -29.41 64.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.675 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -89.78 9.74 26.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.993 0.425 . . . . 0.0 111.564 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.36 -7.27 39.88 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.066 171.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.48 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 85.0 m-85 -87.18 80.32 8.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.348 0.594 . . . . 0.0 109.722 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -104.0 -22.35 13.47 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.03 -173.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -122.62 168.29 12.36 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.403 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.91 -28.51 68.99 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.433 0.635 . . . . 0.0 109.665 176.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.7 -26.36 64.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.892 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -80.62 -47.75 13.65 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.538 ' CD2' HD22 ' A' ' 5' ' ' LEU . 48.6 t80 -63.18 -27.51 69.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.024 -173.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -66.71 -8.71 29.85 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.992 -0.443 . . . . 0.0 111.446 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -106.04 5.12 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.349 0.595 . . . . 0.0 110.16 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD13 HD12 ' A' ' 40' ' ' LEU . 2.2 tm? -74.78 115.75 14.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.023 177.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -119.56 166.17 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 -174.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.686 ' N ' HD11 ' A' ' 55' ' ' LEU . 34.4 tt0 -61.25 -40.63 94.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.885 0.374 . . . . 0.0 111.071 -173.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.6 m -59.55 -26.94 65.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.473 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.734 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.0 m170 -76.93 -34.93 57.63 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.76 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 HD12 HD13 ' A' ' 35' ' ' LEU . 8.7 mp -63.59 -31.61 72.83 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.603 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.76 -34.0 75.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.895 174.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -77.89 -37.05 48.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.317 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 50.8 mt -76.36 -8.34 56.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.13 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 t30 68.77 24.66 6.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.378 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -84.89 81.97 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.358 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.445 ' HE3' ' HA ' ' A' ' 46' ' ' MET . 32.1 mmt -93.75 11.31 29.59 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.236 -174.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.53 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 38.6 m-20 -77.09 101.86 0.71 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.792 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.44 -56.36 2.95 Favored 'Trans proline' 0 N--CA 1.474 0.369 0 C-N-CA 123.277 2.651 . . . . 0.0 114.242 -166.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.536 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.4 mt-30 -68.8 -33.06 73.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.233 0.539 . . . . 0.0 110.297 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.496 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 24.9 m170 -68.58 -36.53 78.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.861 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 47' ' ' ASP . 48.2 mtp180 -57.66 -53.0 63.14 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.565 171.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.519 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.92 -41.6 67.85 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.465 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.606 ' O ' HG21 ' B' ' 56' ' ' THR . 28.8 mtpt -65.37 -51.7 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.727 177.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.4 mt -53.97 -46.26 71.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.491 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.686 HD11 ' N ' ' A' ' 37' ' ' GLU . 2.8 mm? -61.11 -45.22 95.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.315 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.602 HG21 ' O ' ' B' ' 53' ' ' LYS . 42.2 m -61.73 -40.82 96.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -178.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.43 ' HA ' HD21 ' B' ' 60' ' ' LEU . . . -60.09 -44.03 95.08 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.014 176.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.35 95.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 6.5 mm-40 -57.31 -48.36 79.13 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.634 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' B' ' 57' ' ' ALA . 8.8 mp -71.62 -48.86 45.16 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.654 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.484 HD13 ' HG ' ' A' ' 8' ' ' LEU . 85.0 mt -56.82 -28.22 61.18 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.861 0.363 . . . . 0.0 111.566 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.6 -35.92 77.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.701 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -108.41 -33.14 7.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.33 0.586 . . . . 0.0 111.575 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.49 ' OH ' ' HB2' ' B' ' 2' ' ' PRO . 97.5 m-85 -106.05 38.75 1.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.143 -171.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.409 ' C ' ' HG1' ' A' ' 66' ' ' THR . 7.8 p-10 -78.91 42.81 0.48 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.376 0.608 . . . . 0.0 111.034 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.415 ' H ' ' C ' ' A' ' 64' ' ' TYR . 16.6 p 49.38 36.0 8.96 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.979 0.911 . . . . 0.0 113.146 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.09 37.84 2.99 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.347 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.1 m 63.22 163.79 0.11 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.413 0.625 . . . . 0.0 111.963 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.652 -177.592 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 CA-C-O 119.741 -0.477 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.49 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 15.5 Cg_exo -67.97 103.55 0.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.278 1.986 . . . . 0.0 111.886 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -87.43 -18.78 29.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.789 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.8 p -124.0 165.0 18.2 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.812 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.543 HD22 ' CD2' ' B' ' 32' ' ' PHE . 2.3 tm? -60.41 -46.97 88.08 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.838 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.45 -41.17 63.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.99 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.71 -32.49 67.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.545 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.489 ' HG ' HD13 ' B' ' 61' ' ' LEU . 2.8 tm? -69.72 -38.19 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.464 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.517 HD13 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -61.61 -36.63 81.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.15 -32.0 71.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.971 0.415 . . . . 0.0 110.485 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.76 92.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.537 ' CG2' HG22 ' A' ' 56' ' ' THR . 37.8 pt -98.01 -13.11 8.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.878 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.39 31.8 11.21 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.73 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.517 ' O ' HD13 ' B' ' 9' ' ' LEU . 2.3 mm? -122.8 31.57 6.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.889 0.376 . . . . 0.0 110.691 178.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.504 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 15.2 pt-20 -60.83 -16.94 46.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.49 177.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.13 -22.18 65.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.11 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -117.9 11.56 13.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.584 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.504 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 26.2 m -54.88 -47.53 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.788 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 20.0 p -61.97 -36.54 81.75 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.629 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 24.1 m -57.16 -53.19 60.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.336 178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -63.01 -52.19 63.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.228 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 tp -53.55 -47.29 70.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.784 -175.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' B' ' 19' ' ' SER . 91.6 mt -71.78 -29.71 64.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.595 -177.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -89.49 9.68 25.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.97 0.414 . . . . 0.0 111.507 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.43 -6.96 39.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.077 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.471 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 85.2 m-85 -87.39 80.42 8.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.344 0.592 . . . . 0.0 109.706 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -103.99 -22.65 13.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.029 -173.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -122.41 167.85 12.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.393 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.54 -28.57 69.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.459 0.647 . . . . 0.0 109.693 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.69 -26.34 64.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.89 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -80.68 -47.99 13.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.356 0.598 . . . . 0.0 109.569 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . 0.543 ' CD2' HD22 ' B' ' 5' ' ' LEU . 48.2 t80 -62.9 -27.42 69.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.021 -173.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.86 -9.04 33.45 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.359 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -105.72 5.26 30.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.431 0.634 . . . . 0.0 110.283 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.451 HD13 HD12 ' B' ' 40' ' ' LEU . 2.2 tm? -74.98 116.05 15.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.955 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -119.85 166.16 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.02 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.696 ' N ' HD11 ' B' ' 55' ' ' LEU . 34.1 tt0 -61.23 -40.75 95.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.909 0.385 . . . . 0.0 111.108 -173.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 51.2 m -59.51 -26.65 65.48 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.464 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.725 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 23.1 m170 -77.22 -35.09 55.85 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.693 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.451 HD12 HD13 ' B' ' 35' ' ' LEU . 8.7 mp -63.43 -31.59 72.79 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.812 0.339 . . . . 0.0 110.69 177.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.85 -33.99 75.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.832 174.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -77.98 -36.98 48.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.251 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 49.3 mt -76.46 -8.19 56.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.226 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 t30 68.68 24.74 6.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.373 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.6 mt -85.06 82.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.251 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.45 ' HA ' ' HE3' ' B' ' 46' ' ' MET . 31.9 mmt -93.66 10.95 30.69 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.166 -174.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.534 ' O ' ' HG3' ' B' ' 51' ' ' ARG . 35.1 m-20 -76.55 101.62 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.807 176.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' B' ' 46' ' ' MET . 51.6 Cg_exo -52.31 -56.15 3.16 Favored 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 123.252 2.635 . . . . 0.0 114.293 -166.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 52.4 mt-30 -69.27 -32.8 72.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.268 0.556 . . . . 0.0 110.214 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . 0.482 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 24.9 m170 -68.59 -36.72 79.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.823 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' B' ' 47' ' ' ASP . 49.3 mtp180 -57.51 -52.99 63.13 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.624 171.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.535 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -54.0 -41.68 68.23 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.348 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.602 ' O ' HG21 ' A' ' 56' ' ' THR . 28.8 mtpt -65.29 -51.68 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.789 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -54.03 -46.17 71.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.513 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.696 HD11 ' N ' ' B' ' 37' ' ' GLU . 2.8 mm? -61.19 -45.21 95.55 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.202 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.606 HG21 ' O ' ' A' ' 53' ' ' LYS . 41.6 m -61.8 -40.79 96.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.442 ' HA ' HD21 ' A' ' 60' ' ' LEU . . . -60.18 -44.01 95.4 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.004 176.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.6 95.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 6.3 mm-40 -56.93 -48.65 77.78 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.542 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.43 HD21 ' HA ' ' A' ' 57' ' ' ALA . 8.8 mp -71.44 -48.99 46.01 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.635 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.489 HD13 ' HG ' ' B' ' 8' ' ' LEU . 84.2 mt -56.86 -28.11 61.28 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.53 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.77 -35.81 77.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.71 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -108.28 -33.3 7.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.603 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . 0.484 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 97.5 m-85 -105.82 38.62 1.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.152 -171.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.9 42.5 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.321 0.581 . . . . 0.0 111.05 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 64' ' ' TYR . 17.1 p 49.55 36.18 9.84 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.158 0.983 . . . . 0.0 113.012 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.3 37.66 3.02 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.36 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 93.4 m 63.62 163.92 0.12 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.234 0.614 . . . . 0.0 111.916 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.905 -0.569 . . . . 0.0 110.443 -178.229 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.5 126.52 10.99 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.787 2.325 . . . . 0.0 112.011 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -108.56 -10.0 15.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.9 p -130.53 169.07 16.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.353 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.4 tm? -60.85 -51.19 70.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -176.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.468 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 12.7 t-80 -54.82 -44.7 74.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.473 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.52 -36.41 82.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.48 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.504 ' HG ' HD12 ' A' ' 61' ' ' LEU . 2.9 tm? -66.28 -44.28 84.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.007 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.4 mm? -60.84 -39.56 89.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.501 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 48.4 mt-10 -65.55 -37.57 87.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.042 0.448 . . . . 0.0 110.486 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -41.37 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.34 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CG2' HG21 ' B' ' 56' ' ' THR . 39.4 pt -92.68 -15.58 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.906 -177.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.97 24.41 15.2 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.905 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 9' ' ' LEU . 3.4 mm? -119.28 30.27 7.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.974 0.416 . . . . 0.0 110.113 177.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 9' ' ' LEU . 11.3 pt-20 -57.35 -21.26 34.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.771 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.39 -21.05 65.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.512 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -115.86 14.41 16.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.86 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.8 m -55.79 -45.91 78.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.183 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.561 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 22.0 t -64.27 -35.82 82.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.26 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 m -57.51 -52.27 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.211 0.529 . . . . 0.0 110.072 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.4 mm? -63.71 -49.87 71.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.97 177.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.32 -48.94 65.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.69 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 19' ' ' SER . 88.9 mt -67.43 -31.48 71.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.387 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -92.25 13.71 18.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.045 0.45 . . . . 0.0 111.524 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.34 -12.56 58.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.74 171.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 91.0 m-85 -82.78 70.82 9.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 109.651 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -100.45 -7.87 23.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.507 -174.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.5 p -132.4 162.88 29.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.168 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.52 -28.78 67.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.372 0.606 . . . . 0.0 109.49 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.535 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 1.4 mp0 -68.23 -28.86 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.204 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -89.33 -39.95 13.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 109.943 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.9 -29.47 70.64 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.7 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 15.0 ptpt -65.78 -5.33 8.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.166 -0.333 . . . . 0.0 111.482 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -106.67 6.02 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 109.871 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.519 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 3.3 tm? -74.63 126.66 31.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.222 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' A' ' 35' ' ' LEU . 21.6 mmt180 -128.75 171.4 12.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' HB2' HD21 ' A' ' 55' ' ' LEU . 43.6 tt0 -60.85 -43.17 98.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.789 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -56.68 -28.92 61.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.474 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.731 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 46.7 m170 -79.03 -29.78 43.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.845 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.618 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 7.2 mp -71.07 -26.64 63.16 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 176.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' OD1' ' HE3' ' A' ' 46' ' ' MET . 82.2 m-20 -60.1 -35.68 75.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -77.35 -34.14 55.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.547 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 45.2 mt -80.58 -6.46 58.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.112 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 67.74 31.05 6.11 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.559 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -101.31 82.65 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.771 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.49 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 31.3 mmt -86.07 -10.47 54.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.118 -177.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -60.61 110.62 3.07 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.463 178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -56.85 -49.26 15.06 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.059 3.173 . . . . 0.0 114.129 -170.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.641 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 46.6 mt-30 -68.09 -38.8 82.74 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -64.34 -40.86 96.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.618 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 46.0 mtp180 -57.12 -56.91 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.59 172.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HB2' ' CG ' ' B' ' 53' ' ' LYS . . . -54.55 -41.14 69.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.54 -176.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 26.2 mtpt -67.84 -53.29 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.227 -0.189 . . . . 0.0 111.013 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.1 mt -55.18 -43.89 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.165 0.507 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -64.18 -49.62 71.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.726 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.547 HG23 ' O ' ' B' ' 53' ' ' LYS . 58.7 m -61.72 -39.14 90.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.133 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HB3' HD12 ' A' ' 8' ' ' LEU . . . -59.17 -48.69 80.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.809 176.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.64 91.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.299 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 24.3 mm-40 -58.67 -54.58 45.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.376 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' B' ' 57' ' ' ALA . 6.8 mp -65.31 -44.63 87.25 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.731 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.504 HD12 ' HG ' ' A' ' 8' ' ' LEU . 91.2 mt -61.09 -21.94 64.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.896 0.379 . . . . 0.0 111.732 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.15 -30.62 68.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.303 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -107.52 -37.28 6.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.789 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -104.81 44.28 1.04 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.379 -174.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.63 57.79 2.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.187 0.518 . . . . 0.0 111.043 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 p 48.42 41.71 17.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.548 -174.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.58 135.27 12.5 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.1 m -58.9 148.72 29.23 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -176.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.248 1.013 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.423 179.78 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.58 126.6 10.99 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.795 2.33 . . . . 0.0 111.854 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -108.61 -10.16 15.24 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 23.5 p -130.31 169.19 15.77 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.354 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.493 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -60.77 -51.21 70.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.988 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.471 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 12.9 t-80 -54.93 -44.6 74.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.392 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.43 -36.56 82.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.666 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.503 ' HG ' HD12 ' B' ' 61' ' ' LEU . 2.9 tm? -66.28 -44.19 84.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.986 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.493 HD23 ' O ' ' B' ' 5' ' ' LEU . 4.4 mm? -60.97 -39.52 89.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.477 177.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 48.6 mt-10 -65.55 -37.59 87.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.539 176.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.27 97.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.307 -177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.462 ' CG2' HG21 ' A' ' 56' ' ' THR . 39.7 pt -92.86 -15.55 8.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.912 -177.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.11 24.18 15.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.009 175.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.466 ' O ' HD13 ' B' ' 9' ' ' LEU . 3.4 mm? -119.09 30.35 7.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.917 0.389 . . . . 0.0 110.158 177.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 11.3 pt-20 -57.34 -21.67 36.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.891 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.97 -21.33 64.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.422 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -115.61 14.31 16.48 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.919 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.4 m -55.63 -46.12 77.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.05 0.453 . . . . 0.0 110.196 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 22.5 t -64.21 -35.75 81.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.248 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -57.59 -52.3 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.107 0.479 . . . . 0.0 110.109 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.492 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.4 mm? -63.48 -50.04 71.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.969 177.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.3 -48.89 65.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.732 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.5 mt -67.44 -31.41 71.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.442 -177.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -92.26 12.96 20.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.0 0.428 . . . . 0.0 111.561 -175.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.24 57.72 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.832 171.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.492 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 91.4 m-85 -83.11 70.74 10.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.389 0.614 . . . . 0.0 109.6 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -100.25 -8.02 23.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.447 -174.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 70.5 p -132.5 162.89 30.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.961 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.47 -29.02 67.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.326 0.584 . . . . 0.0 109.449 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.54 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 1.3 mp0 -68.22 -28.69 67.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.314 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -89.34 -40.17 12.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.077 0.465 . . . . 0.0 109.935 176.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -63.62 -29.7 70.91 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.714 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 15.0 ptpt -65.62 -5.48 8.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.144 -0.348 . . . . 0.0 111.376 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -106.54 5.79 29.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.578 0.704 . . . . 0.0 109.89 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.523 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 3.3 tm? -74.28 126.87 31.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.257 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.523 ' HD3' ' O ' ' B' ' 35' ' ' LEU . 21.5 mmt180 -129.15 171.08 12.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.638 -177.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.423 ' HB2' HD21 ' B' ' 55' ' ' LEU . 43.1 tt0 -60.54 -43.26 97.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.972 0.415 . . . . 0.0 110.773 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m -56.48 -28.89 60.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.649 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . 0.73 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 47.4 m170 -78.85 -30.15 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.854 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.622 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 7.3 mp -70.91 -26.76 63.35 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 176.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -59.91 -35.42 74.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.636 0.731 . . . . 0.0 109.071 171.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.08 -33.5 50.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.496 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.73 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 46.3 mt -80.97 -6.6 58.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.062 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.03 31.05 5.69 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.365 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.8 mt -101.17 82.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.851 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' MET . . . . . 0.482 ' HA ' ' HE2' ' B' ' 46' ' ' MET . 31.4 mmt -86.13 -10.2 55.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.074 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 19.0 m-20 -60.85 110.58 3.08 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.345 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 36.6 Cg_exo -56.7 -49.24 15.28 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.96 3.107 . . . . 0.0 114.216 -170.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.646 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 46.5 mt-30 -68.16 -38.64 82.34 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.083 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -64.53 -40.71 96.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.622 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 46.3 mtp180 -57.19 -56.82 16.81 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.562 172.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.448 ' HB2' ' CG ' ' A' ' 53' ' ' LYS . . . -54.62 -41.16 69.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.51 -176.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.646 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 26.3 mtpt -67.94 -53.11 28.75 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.256 -0.178 . . . . 0.0 110.988 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 86.0 mt -55.4 -43.76 75.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . 0.589 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.2 OUTLIER -64.24 -49.58 71.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.851 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 53' ' ' LYS . 59.1 m -61.68 -39.07 90.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.002 0.43 . . . . 0.0 111.139 -178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.466 ' HB3' HD12 ' B' ' 8' ' ' LEU . . . -59.18 -48.7 80.64 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.782 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.39 90.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.265 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 23.5 mm-40 -58.77 -54.55 45.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.434 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 57' ' ' ALA . 6.7 mp -65.43 -44.52 87.06 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.698 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.503 HD12 ' HG ' ' B' ' 8' ' ' LEU . 91.5 mt -61.18 -21.78 64.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.839 0.352 . . . . 0.0 111.685 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 35.2 tp -69.16 -30.82 69.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.201 0.524 . . . . 0.0 110.285 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -107.33 -37.54 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.755 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -104.7 44.26 1.04 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.349 -174.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -78.59 57.9 2.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.294 0.569 . . . . 0.0 111.03 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.4 p 48.2 41.58 16.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.634 -174.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.44 135.24 12.5 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 40.0 m -59.08 148.49 30.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.634 0.254 . . . . 0.0 111.587 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.569 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 N--CA 1.46 -0.457 0 CA-C-O 120.864 0.276 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.36 -12.55 12.38 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 p -126.53 167.79 15.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.626 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.77 -52.01 67.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.321 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.524 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 11.4 t-80 -51.49 -46.49 63.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.681 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.53 -33.87 76.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.986 0.422 . . . . 0.0 110.998 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.689 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.8 tm? -68.33 -42.0 79.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.104 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.5 mm? -62.18 -38.42 89.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.281 176.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 45.0 mt-10 -64.94 -33.33 75.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.221 0.534 . . . . 0.0 110.464 176.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.596 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -66.43 -42.27 87.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.467 -176.715 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.527 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.0 pt -94.51 -9.13 9.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.023 -175.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.18 22.21 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.7 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.7 mm? -121.2 29.69 7.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.694 0.283 . . . . 0.0 110.564 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.4 pt-20 -63.51 -14.18 48.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.008 0.432 . . . . 0.0 110.492 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.55 -23.29 66.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.573 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -114.25 9.5 17.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.739 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 24.1 m -54.89 -46.12 74.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 110.405 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.591 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.0 m -62.81 -38.68 91.64 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.189 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -57.05 -51.53 68.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.059 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.8 mm? -59.73 -52.88 63.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.028 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 tp -53.57 -47.91 69.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.489 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 19' ' ' SER . 95.5 mt -67.88 -28.23 67.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.342 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.426 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 30.6 m-80 -93.21 12.39 24.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -178.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.68 1.54 57.55 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.025 171.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.502 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 99.1 m-85 -92.94 85.39 5.13 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.326 0.584 . . . . 0.0 109.599 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.73 -17.84 14.26 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.593 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.8 p -127.58 167.67 16.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.738 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.71 -27.49 67.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 43.5 mt-10 -69.45 -27.73 65.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.651 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -81.11 -45.89 15.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.302 0.572 . . . . 0.0 109.766 174.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.523 ' HD1' HD12 ' A' ' 61' ' ' LEU . 43.0 t80 -65.46 -29.94 70.67 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.743 -174.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.8 ptpt -65.43 -9.98 30.02 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.115 -0.366 . . . . 0.0 111.08 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -100.02 -4.5 29.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.135 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.5 tm? -67.53 126.62 29.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.303 -177.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 36' ' ' ARG . 30.9 mmt180 -126.11 169.86 12.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.297 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.58 -41.28 96.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.186 0.517 . . . . 0.0 109.994 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 7.9 m -58.57 -25.24 62.32 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.297 177.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.406 ' O ' HD13 ' A' ' 43' ' ' LEU . 34.9 m170 -79.07 -40.7 30.55 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.486 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -59.6 -31.82 69.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.723 175.519 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 38' ' ' THR . 7.4 m-20 -56.49 -41.84 77.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.203 171.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.03 -41.06 62.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.794 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' CG ' ' A' ' 24' ' ' ASN . 10.8 mp -73.68 -5.7 42.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.11 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.48 29.92 10.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.391 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.539 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 65.6 mt -93.32 79.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.792 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.9 mmt -88.32 1.54 54.39 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.352 -176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.619 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 71.2 m-20 -59.05 102.78 0.32 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.446 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 41.2 Cg_exo -54.48 -56.45 2.48 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.897 2.398 . . . . 0.0 114.226 -165.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 43.3 mt-30 -72.57 -32.14 65.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.912 0.387 . . . . 0.0 110.707 -178.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.619 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 51.3 m170 -64.82 -41.31 95.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.593 ' O ' HD22 ' A' ' 55' ' ' LEU . 39.4 mtp180 -53.54 -56.36 17.75 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.98 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.468 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.6 -42.33 61.88 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.25 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.601 ' O ' HG21 ' B' ' 56' ' ' THR . 31.0 mtpt -65.73 -52.72 48.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -53.87 -45.69 71.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.439 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.654 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.45 -47.03 83.56 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.987 -179.421 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.589 HG21 ' O ' ' B' ' 53' ' ' LYS . 45.1 m -61.24 -40.86 95.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.112 0.482 . . . . 0.0 110.972 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.643 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -59.62 -45.81 90.85 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.973 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.26 94.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.248 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 8.6 mm-40 -58.3 -53.02 62.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.356 0.598 . . . . 0.0 110.215 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.644 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.3 mp -69.67 -38.76 77.17 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.974 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.689 HD11 ' HG ' ' A' ' 8' ' ' LEU . 56.4 mt -63.35 -23.99 67.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 118.267 0.485 . . . . 0.0 111.375 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.572 HD23 ' NH2' ' B' ' 11' ' ' ARG . 30.2 tp -72.66 -28.3 62.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.731 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -110.45 -37.67 5.43 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.314 -174.608 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 N--CA 1.459 -0.545 0 CA-C-O 120.854 0.273 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.27 -12.2 12.48 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 33.5 p -126.88 167.66 15.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.599 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.45 -52.0 67.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.515 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.525 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 11.3 t-80 -51.62 -46.36 63.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.693 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -64.53 -33.97 77.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.0 0.429 . . . . 0.0 110.954 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.723 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.8 tm? -68.2 -41.93 80.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.144 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.451 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.5 mm? -62.4 -38.32 89.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.267 176.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 45.1 mt-10 -64.66 -34.05 77.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.572 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.68 -42.7 90.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.611 -176.781 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.524 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.2 pt -93.89 -9.92 9.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.927 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.07 28.5 20.48 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.657 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.451 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.7 mm? -121.46 30.01 6.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.629 0.252 . . . . 0.0 110.582 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.463 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.6 pt-20 -63.58 -14.47 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.961 0.41 . . . . 0.0 110.411 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.12 -23.53 66.6 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.656 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -114.24 9.45 17.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.695 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.463 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 24.1 m -54.75 -46.22 74.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.332 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.585 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 13.1 m -62.72 -38.92 92.38 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.23 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -56.83 -51.6 68.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.2 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.8 mm? -59.75 -52.65 64.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.122 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 tp -53.79 -47.73 70.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.532 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' B' ' 19' ' ' SER . 95.5 mt -67.85 -28.36 67.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.365 -177.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.428 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 30.6 m-80 -93.26 12.51 24.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.209 0.528 . . . . 0.0 111.172 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.74 1.3 57.51 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.082 171.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 98.7 m-85 -92.7 85.57 5.28 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.371 0.605 . . . . 0.0 109.687 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.91 -17.46 14.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.468 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 65.7 p -127.89 167.36 16.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.91 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.38 -27.98 68.28 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.414 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 43.2 mt-10 -69.15 -27.71 65.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.576 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -81.16 -45.63 16.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.515 ' HD1' HD12 ' B' ' 61' ' ' LEU . 43.1 t80 -65.72 -30.04 70.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.792 -174.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.9 ptpt -65.39 -9.85 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.034 -0.416 . . . . 0.0 111.135 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -100.05 -4.44 29.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.313 0.578 . . . . 0.0 110.084 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.5 tm? -67.81 126.49 29.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.291 -177.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -126.17 169.86 12.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.265 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.61 -41.15 96.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.129 0.49 . . . . 0.0 109.93 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' B' ' 41' ' ' ASN . 8.3 m -58.89 -25.09 63.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.396 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -79.07 -40.83 30.22 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.419 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.558 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 0.2 OUTLIER -59.5 -31.98 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.748 175.516 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' B' ' 38' ' ' THR . 7.2 m-20 -56.68 -41.38 77.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.155 171.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -74.59 -40.57 61.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.792 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.428 ' HG ' ' CG ' ' B' ' 24' ' ' ASN . 10.8 mp -74.18 -5.32 41.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.946 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 65.49 29.42 11.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.327 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.558 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 65.7 mt -92.87 79.38 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 2.8 mmt -88.22 1.19 55.02 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.337 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.621 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 71.1 m-20 -58.77 102.83 0.32 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.531 177.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.449 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 45.1 Cg_exo -54.22 -56.47 2.52 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.922 2.414 . . . . 0.0 114.279 -165.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.57 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 43.1 mt-30 -72.87 -32.23 65.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.847 0.356 . . . . 0.0 110.57 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.621 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 51.2 m170 -64.67 -41.29 96.18 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.591 ' O ' HD22 ' B' ' 55' ' ' LEU . 39.6 mtp180 -53.77 -56.16 19.99 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.032 172.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.469 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.7 -42.33 62.13 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.242 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.589 ' O ' HG21 ' A' ' 56' ' ' THR . 31.0 mtpt -65.72 -52.67 49.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.714 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.6 mt -53.9 -45.6 71.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.468 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -63.47 -47.01 83.56 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.965 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.601 HG21 ' O ' ' A' ' 53' ' ' LYS . 46.2 m -61.38 -40.72 95.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.644 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.57 -45.9 90.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.979 176.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.5 94.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.254 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 8.4 mm-40 -58.28 -53.0 63.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 110.193 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.3 mp -69.76 -38.61 76.83 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.968 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.723 HD11 ' HG ' ' B' ' 8' ' ' LEU . 56.7 mt -63.39 -24.19 67.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.344 0.52 . . . . 0.0 111.371 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.596 HD23 ' NH2' ' A' ' 11' ' ' ARG . 29.8 tp -72.46 -28.61 63.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -110.45 -36.91 5.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.283 -174.858 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.606 ' HD3' ' OD1' ' B' ' 63' ' ' ASP . 13.1 Cg_exo . . . . . 0 N--CA 1.459 -0.528 0 CA-C-O 120.936 0.306 . . . . 0.0 111.88 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -93.01 -18.24 22.92 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.678 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.43 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 36.2 p -122.14 166.98 13.72 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.025 -177.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.0 tm? -59.54 -51.76 68.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.74 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -52.58 -45.9 66.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.784 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 33.7 mm-40 -67.39 -31.93 72.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 -175.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -70.24 -42.76 71.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.385 178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.2 mm? -61.85 -37.23 83.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.028 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.24 -30.77 68.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.014 0.435 . . . . 0.0 110.891 176.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 8' ' ' LEU . 17.3 tpp180 -64.82 -40.8 95.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.662 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.479 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.9 pt -94.98 -12.66 8.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -176.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.19 28.75 14.08 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.99 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.8 mm? -123.38 33.13 5.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.657 0.265 . . . . 0.0 110.664 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.8 pt-20 -58.49 -18.67 30.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.55 176.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 10.9 pt-20 -61.61 -19.99 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.414 174.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.452 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 88.7 m-70 -117.0 6.58 12.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.7 m -55.67 -45.57 77.7 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.178 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.566 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.4 t -63.62 -39.84 95.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.979 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.6 m -56.0 -52.46 64.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.943 0.402 . . . . 0.0 110.557 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.3 mm? -62.5 -50.36 71.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.091 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 27' ' ' GLN . 13.5 tp -54.01 -44.84 71.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.519 -176.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 19' ' ' SER . 88.0 mt -74.8 -22.44 58.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.578 -177.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -98.81 11.04 39.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.926 0.393 . . . . 0.0 111.646 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.98 -8.91 54.65 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.866 172.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.2 m-85 -87.2 76.67 9.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.351 0.596 . . . . 0.0 109.684 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' HA ' HD12 ' A' ' 22' ' ' LEU . 60.8 mt-30 -103.79 -11.81 17.33 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.876 -173.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -128.41 166.85 17.91 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.163 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.4 mt -68.36 -26.54 65.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.48 0.657 . . . . 0.0 109.483 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.22 -29.05 68.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.096 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 58.1 m-20 -81.93 -42.74 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.05 175.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.449 ' HD1' HD12 ' A' ' 61' ' ' LEU . 42.3 t80 -64.72 -27.16 68.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.973 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -70.92 -12.42 61.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.219 0.533 . . . . 0.0 110.68 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -96.89 -0.15 48.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.708 0.766 . . . . 0.0 109.577 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.58 HD11 HD11 ' A' ' 40' ' ' LEU . 3.2 tm? -75.48 122.74 24.3 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.853 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.492 ' C ' HD11 ' A' ' 55' ' ' LEU . 34.2 mmt180 -120.05 164.79 15.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.702 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.594 ' N ' HD11 ' A' ' 55' ' ' LEU . 30.3 tt0 -67.01 -36.85 83.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.071 0.462 . . . . 0.0 110.354 -175.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -60.06 -26.03 65.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.051 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.785 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 25.3 m170 -76.72 -35.63 57.68 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.58 HD11 HD11 ' A' ' 35' ' ' LEU . 6.1 mp -64.23 -34.82 78.98 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.589 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -55.47 -36.79 66.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.856 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.47 -38.86 48.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.7 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 37.2 mt -76.56 -2.35 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.09 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.6 t30 70.38 19.0 6.56 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.987 0.899 . . . . 0.0 110.473 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.449 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 57.4 mt -88.33 75.71 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.482 ' CE ' ' HA ' ' A' ' 46' ' ' MET . 0.8 OUTLIER -87.21 -6.92 58.41 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.475 -176.019 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 10.8 m-20 -57.54 104.95 0.46 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.365 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 44.9 Cg_exo -56.71 -51.29 9.38 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 124.08 3.187 . . . . 0.0 114.489 -169.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 48.2 mt-30 -69.09 -36.21 77.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.21 0.529 . . . . 0.0 110.317 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 16.1 m170 -68.69 -37.58 79.67 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.256 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.541 ' HG2' HD23 ' A' ' 40' ' ' LEU . 50.5 mtp180 -57.86 -55.62 32.53 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.956 170.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.495 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -49.88 -42.6 48.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.466 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.568 ' O ' HG21 ' B' ' 56' ' ' THR . 27.9 mtpt -66.73 -51.22 58.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.896 177.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.411 HD12 HD21 ' A' ' 40' ' ' LEU . 91.3 mt -54.33 -45.51 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.775 -178.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.594 HD11 ' N ' ' A' ' 37' ' ' GLU . 2.0 mm? -68.69 -36.71 78.84 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.701 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.557 HG21 ' O ' ' B' ' 53' ' ' LYS . 48.9 m -65.03 -40.38 94.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.265 0.555 . . . . 0.0 110.008 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.634 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -62.43 -46.63 87.68 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.248 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.74 89.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.02 -49.81 76.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.613 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.648 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.9 mp -73.33 -27.69 61.65 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.901 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD11 ' HG ' ' A' ' 8' ' ' LEU . 61.2 mt -72.02 -27.31 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.672 -0.642 . . . . 0.0 110.031 173.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.52 -37.75 65.54 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.684 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.602 ' OD1' ' HD3' ' B' ' 2' ' ' PRO . 0.6 OUTLIER -101.07 -37.64 8.51 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.421 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 90.1 m-85 . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 121.054 0.454 . . . . 0.0 110.305 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.602 ' HD3' ' OD1' ' A' ' 63' ' ' ASP . 13.0 Cg_exo . . . . . 0 N--CA 1.461 -0.433 0 CA-C-O 120.982 0.326 . . . . 0.0 111.953 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -92.76 -18.16 23.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.785 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.439 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 36.6 p -121.9 167.18 13.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.125 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.486 ' O ' HD23 ' B' ' 9' ' ' LEU . 1.9 tm? -59.64 -51.69 68.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.735 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -52.71 -45.87 67.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.738 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.439 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 34.4 mm-40 -67.35 -31.93 72.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.593 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.622 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -70.29 -42.81 71.55 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.265 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.543 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.2 mm? -61.89 -37.14 83.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.45 -30.64 68.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' B' ' 8' ' ' LEU . 17.3 tpp180 -64.72 -41.26 96.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.577 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.481 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.7 pt -94.36 -13.22 8.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.18 29.41 12.62 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.84 174.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.543 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -123.69 33.13 5.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.783 0.325 . . . . 0.0 110.669 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.7 pt-20 -58.42 -18.77 30.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.581 176.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.448 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 10.7 pt-20 -61.69 -19.78 62.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.46 174.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.448 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 88.3 m-70 -117.09 6.61 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 10.0 m -55.58 -45.61 77.34 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.156 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 27.2 t -63.82 -39.7 94.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.964 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.1 m -55.75 -52.64 63.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 0.0 110.62 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.515 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.3 mm? -62.57 -50.23 72.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.13 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' B' ' 27' ' ' GLN . 13.5 tp -54.27 -44.23 71.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.628 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.5 mt -75.07 -23.07 57.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.513 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -98.56 11.35 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.983 0.421 . . . . 0.0 111.485 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.86 -9.01 54.96 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.887 172.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.515 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.1 m-85 -87.1 76.49 9.28 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.381 0.61 . . . . 0.0 109.658 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.437 ' HA ' HD12 ' B' ' 22' ' ' LEU . 60.7 mt-30 -103.66 -11.66 17.52 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.86 -173.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 60.3 p -128.65 167.02 17.79 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.242 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt -68.56 -26.73 65.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.11 -28.98 68.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.156 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.446 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 56.3 m-20 -81.86 -42.79 19.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.918 175.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.452 ' HD1' HD12 ' B' ' 61' ' ' LEU . 42.5 t80 -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.988 -174.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -70.91 -12.53 61.59 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.911 -0.493 . . . . 0.0 110.614 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -96.77 -0.27 48.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.638 0.732 . . . . 0.0 109.584 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.559 HD11 HD11 ' B' ' 40' ' ' LEU . 3.2 tm? -75.4 122.66 24.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.803 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.485 ' C ' HD11 ' B' ' 55' ' ' LEU . 34.5 mmt180 -119.99 164.92 15.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.697 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.588 ' N ' HD11 ' B' ' 55' ' ' LEU . 30.6 tt0 -67.07 -36.87 82.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.145 0.498 . . . . 0.0 110.439 -175.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -60.15 -25.97 65.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.052 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.773 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 25.1 m170 -76.59 -35.86 57.89 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.237 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' B' ' 51' ' ' ARG . 6.1 mp -64.05 -34.88 79.02 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 175.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.55 -36.72 67.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.859 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -77.59 -38.58 47.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.702 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 37.6 mt -76.58 -2.79 34.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.152 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 t30 70.8 18.88 6.07 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.723 0.773 . . . . 0.0 110.38 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.453 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 57.6 mt -88.18 75.97 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' B' ' 46' ' ' MET . 0.8 OUTLIER -87.36 -7.06 58.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.638 -176.117 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 10.4 m-20 -57.37 104.97 0.46 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.41 177.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 44.0 Cg_exo -56.77 -51.03 9.9 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 124.053 3.169 . . . . 0.0 114.477 -169.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 48.0 mt-30 -69.35 -36.04 76.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.311 0.577 . . . . 0.0 110.298 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.467 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 16.2 m170 -68.86 -37.44 79.1 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.303 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.561 ' HG2' HD23 ' B' ' 40' ' ' LEU . 50.3 mtp180 -57.93 -55.54 33.65 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.971 170.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -49.93 -42.55 48.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.508 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.557 ' O ' HG21 ' A' ' 56' ' ' THR . 27.8 mtpt -66.71 -51.33 57.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.945 177.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.422 HD12 HD21 ' B' ' 40' ' ' LEU . 91.9 mt -54.29 -45.48 72.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.862 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.588 HD11 ' N ' ' B' ' 37' ' ' GLU . 2.0 mm? -68.55 -36.72 79.18 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.713 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.568 HG21 ' O ' ' A' ' 53' ' ' LYS . 48.3 m -65.14 -40.44 94.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.344 0.592 . . . . 0.0 110.01 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.648 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -62.38 -46.58 88.0 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.209 176.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.96 89.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -58.74 -49.86 76.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.618 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.634 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.9 mp -73.57 -27.56 61.38 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.872 -178.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.622 HD11 ' HG ' ' B' ' 8' ' ' LEU . 62.0 mt -71.89 -27.4 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.445 0.641 . . . . 0.0 110.056 173.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.51 -37.73 65.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.651 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.606 ' OD1' ' HD3' ' A' ' 2' ' ' PRO . 0.6 OUTLIER -101.19 -37.32 8.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.243 -175.341 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' B' ' 60' ' ' LEU . 90.0 m-85 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 121.028 0.442 . . . . 0.0 110.256 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo . . . . . 0 N--CA 1.461 -0.424 0 CA-C-O 120.915 0.298 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -89.02 -14.16 37.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.183 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.9 p -133.12 170.46 15.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.152 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.413 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.6 tm? -60.67 -49.55 77.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.435 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -54.12 -44.52 71.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.214 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -69.07 -30.88 69.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.733 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.577 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -67.22 -42.48 84.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.996 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -62.2 -40.11 94.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.7 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -66.9 -30.11 70.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.534 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -65.86 -46.29 79.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.423 -179.051 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.517 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.6 pt -90.34 -12.7 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.992 -175.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.72 27.36 14.66 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.687 175.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.2 mm? -118.78 27.87 8.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.106 0.479 . . . . 0.0 110.133 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.6 pt-20 -60.82 -17.3 48.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.709 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.3 pt-20 -62.9 -20.01 64.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.008 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.48 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 83.5 m-70 -119.41 11.34 12.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.94 -175.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.453 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 15.1 m -55.06 -45.8 75.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.885 0.374 . . . . 0.0 110.767 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 28.9 m -62.65 -37.88 88.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.806 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 43.2 m -57.48 -50.68 72.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.796 0.331 . . . . 0.0 110.486 178.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.3 mm? -61.38 -53.29 58.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.848 176.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.19 -47.93 65.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.001 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 19' ' ' SER . 86.7 mt -71.05 -27.69 63.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.646 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -94.25 13.46 23.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.117 0.484 . . . . 0.0 111.379 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.24 -8.76 45.21 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.03 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.507 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 91.7 m-85 -86.17 79.86 8.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.14 0.495 . . . . 0.0 109.965 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -103.76 -19.4 14.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.007 -175.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.6 p -124.93 168.56 13.13 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.594 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.73 -26.91 66.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.405 0.622 . . . . 0.0 109.324 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 40.8 mt-10 -69.74 -25.42 63.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.972 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.444 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 58.3 m-20 -81.56 -48.58 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.33 -28.35 69.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.906 -174.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.6 ptpt -65.56 -8.77 21.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.199 -0.313 . . . . 0.0 111.536 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -105.69 6.0 31.56 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.194 0.521 . . . . 0.0 110.595 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.37 122.46 20.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.55 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' C ' HD11 ' A' ' 55' ' ' LEU . 19.6 mmt180 -119.8 165.6 14.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.252 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.578 ' N ' HD11 ' A' ' 55' ' ' LEU . 31.9 tt0 -64.33 -39.09 93.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.058 0.456 . . . . 0.0 110.4 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.1 m -56.44 -28.34 59.28 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.393 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.762 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 48.6 m170 -76.75 -34.54 58.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.096 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.534 HD12 HD12 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -63.38 -38.21 90.27 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.586 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 80.7 m-20 -59.19 -35.07 72.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.484 0.659 . . . . 0.0 109.726 175.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.56 -36.1 63.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.837 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 60.6 mt -82.47 -3.64 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.069 -177.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.7 t30 70.15 18.17 7.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.762 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.534 HD12 HD12 ' A' ' 40' ' ' LEU . 62.2 mt -88.87 72.59 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 173.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.586 ' SD ' ' HA ' ' A' ' 41' ' ' ASN . 70.1 mmm -83.57 -8.26 59.36 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.604 -172.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 27.7 m-20 -57.44 108.49 1.27 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.554 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 47.2 Cg_exo -56.46 -51.17 9.84 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 124.086 3.191 . . . . 0.0 114.589 -171.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.57 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 50.8 mt-30 -67.7 -36.07 79.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.039 0.447 . . . . 0.0 110.125 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 21.2 m170 -65.5 -43.09 91.21 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.815 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.572 ' O ' HD22 ' A' ' 55' ' ' LEU . 43.5 mtp180 -56.46 -54.24 48.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.053 172.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -50.0 -42.18 48.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.349 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.596 ' O ' HG21 ' B' ' 56' ' ' THR . 29.9 mtpt -67.84 -51.08 52.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.724 177.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 80.7 mt -54.63 -43.94 72.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.52 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.578 HD11 ' N ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -64.98 -44.8 88.11 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.321 179.646 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.605 HG21 ' O ' ' B' ' 53' ' ' LYS . 32.2 m -61.62 -40.99 96.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.013 0.435 . . . . 0.0 110.78 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.63 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.45 -46.74 88.97 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.931 176.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.16 97.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.317 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 23.3 mm-40 -58.55 -54.11 50.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.426 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.2 mp -65.95 -46.5 77.92 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.683 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.577 HD11 ' HG ' ' A' ' 8' ' ' LEU . 94.5 mt -60.24 -22.41 63.01 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.859 0.361 . . . . 0.0 111.691 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.526 HD23 HH22 ' B' ' 11' ' ' ARG . 24.3 tp -70.46 -26.9 63.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -113.41 -38.44 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.019 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.32 -0.709 0 C-N-CA 123.215 0.606 . . . . 0.0 111.263 -174.151 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo . . . . . 0 N--CA 1.461 -0.428 0 CA-C-O 120.937 0.307 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -89.36 -13.74 37.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.3 p -133.58 170.47 15.48 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.064 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.421 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.6 tm? -60.88 -49.39 77.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.545 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.28 -44.52 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.145 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -69.03 -30.96 69.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.661 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.595 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -67.15 -42.47 84.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.063 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.428 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -62.18 -40.26 95.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.635 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.86 -30.08 70.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 0.0 110.476 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.526 HH22 HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.73 -46.51 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.423 -179.181 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.51 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.5 pt -89.91 -13.34 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.011 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.23 27.39 13.55 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.651 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.428 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.2 mm? -118.7 27.85 8.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.978 0.418 . . . . 0.0 110.109 177.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.447 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.5 pt-20 -60.77 -17.52 49.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.858 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 11.5 pt-20 -62.72 -20.09 64.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.045 174.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 82.9 m-70 -119.16 10.95 12.22 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.981 0.364 . . . . 0.0 111.981 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.447 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 14.5 m -54.88 -45.76 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.75 0.309 . . . . 0.0 110.931 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.577 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 23.4 m -63.07 -37.46 87.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.699 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 52.8 m -57.66 -50.76 72.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.811 0.339 . . . . 0.0 110.369 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.3 mm? -61.25 -53.28 58.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.815 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.6 tp -52.45 -47.48 66.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.989 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 19' ' ' SER . 86.9 mt -71.1 -28.28 64.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.577 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -93.83 13.26 23.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.126 0.488 . . . . 0.0 111.364 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.46 -9.11 44.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.176 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.493 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 91.8 m-85 -85.78 79.91 9.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.167 0.508 . . . . 0.0 109.935 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -103.75 -19.73 14.2 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.778 -175.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -124.66 168.08 13.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.649 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -67.29 -26.95 66.79 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.448 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 40.4 mt-10 -69.6 -25.42 63.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.901 176.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.455 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 56.5 m-20 -81.56 -48.66 11.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.26 -28.45 70.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.9 -174.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.6 ptpt -65.5 -8.54 19.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.112 -0.367 . . . . 0.0 111.597 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.91 5.94 31.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.201 0.525 . . . . 0.0 110.584 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.18 122.33 19.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.65 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.51 ' C ' HD11 ' B' ' 55' ' ' LEU . 19.6 mmt180 -119.56 165.46 14.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.281 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.572 ' N ' HD11 ' B' ' 55' ' ' LEU . 31.9 tt0 -64.29 -39.04 93.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.013 0.435 . . . . 0.0 110.379 -175.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -56.38 -28.58 59.62 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.328 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.773 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 48.4 m170 -76.53 -34.67 58.53 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.087 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.529 HD12 HD12 ' B' ' 45' ' ' ILE . 0.4 OUTLIER -63.27 -38.2 90.21 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 175.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASN . . . . . 0.575 ' HA ' ' SD ' ' B' ' 46' ' ' MET . 81.4 m-20 -59.28 -34.97 72.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.812 175.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -74.54 -36.42 63.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.801 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 60.7 mt -82.08 -3.61 55.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.102 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 65.5 t30 70.32 17.75 6.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.793 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.529 HD12 HD12 ' B' ' 40' ' ' LEU . 62.1 mt -88.51 72.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 174.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' B' ' 41' ' ' ASN . 69.6 mmm -83.89 -8.02 59.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.613 -172.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.477 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 28.9 m-20 -57.5 108.32 1.22 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.52 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.55 -50.92 10.39 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 124.206 3.271 . . . . 0.0 114.557 -171.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.587 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 50.4 mt-30 -67.84 -36.26 80.03 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.477 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 20.9 m170 -65.49 -43.07 91.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.78 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.553 ' O ' HD22 ' B' ' 55' ' ' LEU . 43.7 mtp180 -56.43 -54.3 47.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.08 172.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.456 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -49.86 -42.28 47.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.279 -178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.605 ' O ' HG21 ' A' ' 56' ' ' THR . 29.7 mtpt -67.67 -51.4 50.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.771 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 80.3 mt -54.49 -43.82 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.6 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.572 HD11 ' N ' ' B' ' 37' ' ' GLU . 0.3 OUTLIER -65.07 -44.6 88.42 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.38 179.524 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.596 HG21 ' O ' ' A' ' 53' ' ' LYS . 32.0 m -61.65 -41.04 96.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.049 0.452 . . . . 0.0 110.762 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.61 -46.72 89.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.86 176.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.01 97.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.216 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 21.3 mm-40 -58.72 -54.17 50.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.393 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.63 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.2 mp -65.89 -46.54 77.99 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.664 -178.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.595 HD11 ' HG ' ' B' ' 8' ' ' LEU . 94.4 mt -60.13 -22.47 62.87 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.872 0.367 . . . . 0.0 111.812 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.463 HD23 ' NH2' ' A' ' 11' ' ' ARG . 24.3 tp -70.31 -27.34 64.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.379 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -112.93 -38.61 4.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.029 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.347 -174.109 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.509 ' HD3' ' OD2' ' B' ' 63' ' ' ASP . 23.8 Cg_exo . . . . . 0 N--CA 1.463 -0.311 0 CA-C-O 120.915 0.298 . . . . 0.0 111.82 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -86.64 -19.18 29.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.226 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.567 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 77.4 p -125.15 165.61 17.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.016 -176.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.6 tm? -57.72 -47.87 81.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.444 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -54.01 -48.17 70.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.333 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.567 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 24.0 mm-40 -67.06 -33.0 74.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 61' ' ' LEU . 3.0 tm? -66.11 -46.61 76.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.422 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.3 mm? -61.93 -42.18 98.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.24 -30.95 71.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.784 0.326 . . . . 0.0 110.688 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HD3' ' HB3' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -64.31 -52.57 57.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.724 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.8 pt -81.51 -13.89 12.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.974 -175.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.19 24.28 17.19 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.744 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.9 mm? -117.03 31.48 6.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.905 0.383 . . . . 0.0 110.412 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.4 pt-20 -59.64 -18.41 41.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.927 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.92 -22.2 66.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.981 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.83 10.86 15.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.637 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.4 m -57.66 -45.63 85.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.051 0.453 . . . . 0.0 110.349 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.563 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 32.2 t -63.11 -36.32 83.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.904 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.3 m -58.82 -52.58 65.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.901 0.381 . . . . 0.0 110.117 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.9 mm? -60.19 -53.12 61.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.119 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 27' ' ' GLN . 20.2 tp -52.29 -49.19 64.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.689 -176.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 19' ' ' SER . 82.3 mt -73.23 -21.04 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.575 -176.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -96.34 12.17 32.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.962 0.411 . . . . 0.0 111.174 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.54 -8.36 51.64 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.938 172.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 95.2 m-85 -88.18 81.21 7.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.361 0.6 . . . . 0.0 109.699 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HA ' HD12 ' A' ' 22' ' ' LEU . 37.2 mt-30 -104.1 -15.99 15.39 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.617 -172.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -129.53 170.75 13.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.706 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.33 -29.05 69.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.325 0.583 . . . . 0.0 109.638 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 46.1 mt-10 -65.5 -30.32 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.412 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 50.3 m-20 -81.66 -44.3 17.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.04 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.528 ' HD2' HD12 ' A' ' 61' ' ' LEU . 45.1 t80 -65.48 -28.59 69.31 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.94 -174.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 19.4 ptpt -68.89 -7.79 38.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.105 0.478 . . . . 0.0 110.895 177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -103.86 2.38 32.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.652 0.739 . . . . 0.0 109.442 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -75.19 125.48 29.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.868 -178.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -130.04 169.45 15.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.632 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HB2' HD21 ' A' ' 55' ' ' LEU . 42.1 tt0 -61.72 -40.87 96.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.063 0.459 . . . . 0.0 110.17 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.7 m -57.15 -32.6 66.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.319 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.499 ' O ' HD13 ' A' ' 43' ' ' LEU . 66.6 m170 -76.58 -40.51 49.44 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.83 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -59.58 -34.4 72.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.095 175.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HA ' ' HE3' ' A' ' 46' ' ' MET . 95.9 m-20 -62.09 -36.73 82.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.108 175.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.14 -36.17 64.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.525 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 39' ' ' HIS . 11.2 mp -77.36 -4.54 45.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.02 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t30 67.29 29.5 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.619 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.415 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 55.9 mt -90.88 79.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.417 ' HE3' ' HA ' ' A' ' 41' ' ' ASN . 20.4 mmt -78.4 -11.7 59.96 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.489 -176.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.581 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 64.0 m-20 -55.33 105.16 0.49 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.538 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.97 -50.99 4.2 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.274 2.649 . . . . 0.0 113.847 -171.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 53.8 mt-30 -68.32 -36.13 78.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.994 0.426 . . . . 0.0 110.166 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 41.6 m170 -66.2 -42.13 89.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.718 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.582 ' O ' HD22 ' A' ' 55' ' ' LEU . 41.9 mtp180 -53.29 -53.51 49.86 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.052 171.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.38 -44.49 68.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.243 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.58 ' O ' HG21 ' B' ' 56' ' ' THR . 29.7 mtpt -64.79 -51.66 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.894 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 85.0 mt -55.39 -45.25 76.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.422 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.582 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -63.15 -42.35 99.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.873 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.581 HG21 ' O ' ' B' ' 53' ' ' LYS . 30.2 m -64.3 -41.16 96.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.237 0.542 . . . . 0.0 110.818 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.686 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -62.09 -43.53 98.64 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.831 177.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.6 90.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.5 mm-40 -57.68 -52.97 63.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.157 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.9 mp -74.09 -21.95 59.7 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.133 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 41.4 mt -74.03 -29.51 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.035 172.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.8 tp -72.05 -41.71 67.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.325 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.521 ' OD2' ' HD3' ' B' ' 2' ' ' PRO . 1.1 m-20 -89.74 -45.96 8.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.312 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.488 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 90.6 m-85 . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 120.961 0.41 . . . . 0.0 110.743 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.521 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 23.9 Cg_exo . . . . . 0 CA--C 1.52 -0.221 0 CA-C-O 120.85 0.271 . . . . 0.0 111.756 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -86.93 -18.61 30.38 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.298 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.588 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 72.3 p -125.59 165.88 17.72 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.921 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.426 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.6 tm? -58.21 -48.09 81.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.352 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -53.71 -48.13 69.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.421 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.588 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.2 mm-40 -67.2 -32.92 74.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.435 -176.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' B' ' 61' ' ' LEU . 3.0 tm? -66.15 -46.55 77.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.358 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.463 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.3 mm? -62.07 -41.91 98.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.01 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.56 -30.59 71.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.707 0.289 . . . . 0.0 110.867 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.515 ' HD3' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -64.35 -52.99 55.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.747 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.483 ' CG2' HG23 ' A' ' 56' ' ' THR . 42.0 pt -81.42 -13.74 12.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.899 -175.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.82 22.91 19.51 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.022 174.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.463 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -116.27 31.9 6.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.848 0.356 . . . . 0.0 110.369 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.501 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.5 pt-20 -59.82 -18.54 44.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.994 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.14 -21.23 66.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.989 175.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -116.6 10.79 14.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.605 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.501 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 9.1 m -57.73 -45.37 85.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.024 0.44 . . . . 0.0 110.444 178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.553 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 33.0 t -63.35 -36.59 84.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.848 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.6 m -58.51 -52.49 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.139 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.9 mm? -60.36 -53.16 61.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.119 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 27' ' ' GLN . 20.3 tp -52.25 -49.11 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.818 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 19' ' ' SER . 82.2 mt -73.18 -21.12 60.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.587 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -96.23 11.89 32.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.991 0.424 . . . . 0.0 111.196 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -8.16 51.13 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.862 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.487 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 95.5 m-85 -88.36 81.05 7.33 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.422 0.629 . . . . 0.0 109.695 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' B' ' 22' ' ' LEU . 37.2 mt-30 -104.03 -15.62 15.54 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.699 -172.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.2 p -129.64 170.98 13.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.712 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.57 -29.23 69.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.34 0.59 . . . . 0.0 109.486 174.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.2 -30.56 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.415 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.463 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 49.2 m-20 -81.46 -44.31 17.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.194 0.521 . . . . 0.0 109.877 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.538 ' HD2' HD12 ' B' ' 61' ' ' LEU . 45.1 t80 -65.66 -28.46 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.934 -174.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -69.02 -7.57 36.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.086 0.469 . . . . 0.0 110.902 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -104.05 2.3 31.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.721 0.772 . . . . 0.0 109.411 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -75.07 125.52 29.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.851 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -129.98 169.36 15.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.56 -177.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' B' ' 55' ' ' LEU . 42.4 tt0 -61.63 -41.08 96.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.003 0.43 . . . . 0.0 110.197 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.5 m -57.06 -32.57 66.36 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.241 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.503 ' O ' HD13 ' B' ' 43' ' ' LEU . 66.5 m170 -76.57 -40.19 50.4 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.894 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -59.79 -34.26 72.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.964 175.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASN . . . . . 0.428 ' HA ' ' HE3' ' B' ' 46' ' ' MET . 96.1 m-20 -62.08 -37.11 83.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.115 175.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -73.99 -35.58 64.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.535 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.503 HD13 ' O ' ' B' ' 39' ' ' HIS . 11.2 mp -78.08 -4.07 45.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.005 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 66.68 29.76 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.673 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.42 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 56.0 mt -90.99 79.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 174.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.428 ' HE3' ' HA ' ' B' ' 41' ' ' ASN . 19.9 mmt -78.33 -11.88 59.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.387 -176.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 65.0 m-20 -55.1 105.06 0.47 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.627 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.08 -50.85 4.32 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.407 2.738 . . . . 0.0 113.794 -171.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.1 mt-30 -68.84 -35.83 77.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.928 0.394 . . . . 0.0 110.128 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.585 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 40.8 m170 -66.28 -42.09 88.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.749 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.577 ' O ' HD22 ' B' ' 55' ' ' LEU . 41.7 mtp180 -53.32 -53.59 48.7 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.978 171.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.26 -44.49 68.24 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.287 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.581 ' O ' HG21 ' A' ' 56' ' ' THR . 29.9 mtpt -64.92 -51.58 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.797 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 84.9 mt -55.49 -45.17 77.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.348 -178.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -63.2 -42.27 99.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.895 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 53' ' ' LYS . 29.9 m -64.35 -41.14 96.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.167 0.508 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.659 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -62.12 -43.46 98.78 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.863 177.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.52 91.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.715 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.5 mm-40 -57.77 -53.01 63.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.063 178.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.9 mp -74.17 -21.81 59.68 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.147 -176.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 41.4 mt -73.96 -29.67 62.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.34 0.591 . . . . 0.0 110.124 172.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.05 -41.45 67.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.342 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.509 ' OD2' ' HD3' ' A' ' 2' ' ' PRO . 1.1 m-20 -89.7 -46.46 8.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.351 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' B' ' 60' ' ' LEU . 90.5 m-85 . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.039 0.447 . . . . 0.0 110.801 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo . . . . . 0 N--CA 1.464 -0.244 0 CA-C-O 121.008 0.337 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -92.6 -17.86 23.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.646 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.499 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 45.1 p -126.41 169.39 13.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.81 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.6 tm? -62.81 -46.47 87.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.977 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.415 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 58.2 t-80 -51.59 -46.84 63.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.165 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.499 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 27.1 mm-40 -69.58 -32.41 71.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.711 -176.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -70.0 -43.8 70.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.7 mm? -62.06 -41.94 98.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 42.2 mt-10 -66.71 -31.44 72.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.868 0.366 . . . . 0.0 110.427 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -64.77 -46.21 83.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.183 -178.291 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.439 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.4 pt -87.67 -14.52 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.526 -177.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.52 30.8 8.78 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.998 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.8 mm? -121.8 33.88 5.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.943 0.402 . . . . 0.0 110.24 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.2 pt-20 -61.41 -15.84 40.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.798 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.27 -16.97 63.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.922 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -119.09 5.94 11.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.976 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.495 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 15.3 m -55.29 -46.88 76.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.898 0.38 . . . . 0.0 110.424 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.6 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 33.5 t -61.98 -39.3 91.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.915 176.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -56.55 -51.98 66.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.27 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.4 mm? -59.8 -52.12 66.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.197 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.98 -45.19 71.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.174 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 19' ' ' SER . 87.4 mt -68.37 -30.35 69.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.973 0.416 . . . . 0.0 111.081 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' ND2' ' HG ' ' A' ' 43' ' ' LEU . 28.7 m-80 -91.25 4.92 51.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.369 -177.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.8 -4.67 42.54 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.002 172.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.487 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.2 m-85 -89.47 82.49 6.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.104 0.478 . . . . 0.0 109.865 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -109.21 -11.74 14.87 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.711 -174.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -128.81 167.69 16.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.546 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.6 mt -65.68 -27.98 68.75 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.623 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 31.9 mt-10 -70.31 -27.17 64.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.636 178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.475 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 54.5 m-20 -80.37 -47.48 14.38 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.503 ' HD1' HD12 ' A' ' 61' ' ' LEU . 41.9 t80 -65.54 -28.99 69.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.061 -173.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.6 ptpt -66.36 -9.1 30.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 0.0 111.059 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -104.72 2.61 30.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.317 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.491 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -72.44 124.69 25.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.868 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' C ' HD11 ' A' ' 55' ' ' LEU . 21.3 mmt180 -121.16 166.94 13.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.511 ' N ' HD11 ' A' ' 55' ' ' LEU . 39.6 tt0 -63.51 -42.26 98.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.945 0.402 . . . . 0.0 110.575 -177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 m -60.4 -23.62 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.408 ' O ' HD13 ' A' ' 43' ' ' LEU . 39.1 m170 -76.38 -40.73 50.23 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.6 -33.86 72.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.821 175.599 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -56.67 -40.07 74.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.159 0.504 . . . . 0.0 110.073 171.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.42 -33.08 58.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.975 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' HG ' ' ND2' ' A' ' 24' ' ' ASN . 11.0 mp -81.0 -0.75 40.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.149 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.9 t30 64.83 30.85 12.0 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.896 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.468 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 60.5 mt -97.3 83.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.194 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.426 ' HA ' ' HE2' ' A' ' 46' ' ' MET . 3.9 mmt -93.16 -9.8 38.11 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.624 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 30.9 m-20 -61.18 110.18 2.8 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.219 177.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 34.7 Cg_exo -57.41 -47.0 23.97 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.88 3.053 . . . . 0.0 114.108 -171.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.621 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.5 mt-30 -68.49 -38.17 80.76 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.07 0.462 . . . . 0.0 110.04 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.466 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 13.9 m170 -66.87 -40.72 87.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.51 ' O ' HD22 ' A' ' 55' ' ' LEU . 44.2 mtp180 -56.65 -56.78 17.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.103 170.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -50.45 -43.71 55.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.439 -176.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 34.7 mtpt -66.21 -50.1 65.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.71 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 95.4 mt -55.88 -46.95 78.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.528 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.665 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -63.32 -45.04 93.15 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.175 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.6 HG21 ' O ' ' B' ' 53' ' ' LYS . 34.8 m -62.71 -39.44 94.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.059 0.457 . . . . 0.0 110.787 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.83 -45.06 95.95 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.912 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.78 96.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 8.0 mm-40 -57.66 -53.84 53.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.377 0.608 . . . . 0.0 110.273 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.5 mp -72.4 -31.66 65.73 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.784 -0.643 . . . . 0.0 112.347 -176.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.608 HD11 ' HG ' ' A' ' 8' ' ' LEU . 44.4 mt -67.53 -25.37 65.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.499 0.591 . . . . 0.0 110.757 176.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.476 HD23 ' NH2' ' B' ' 11' ' ' ARG . 33.1 tp -74.8 -32.66 62.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.748 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -103.52 -41.14 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.183 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 97.2 m-85 . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.991 0.33 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -92.53 -17.96 23.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.591 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.507 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 45.8 p -126.33 169.42 12.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.722 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.476 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.6 tm? -63.06 -46.15 88.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.008 -178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.408 ' HA ' ' CG2' ' B' ' 18' ' ' THR . 58.2 t-80 -51.79 -46.82 64.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.1 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.507 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.3 mm-40 -69.7 -32.41 70.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.742 -176.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.626 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -69.83 -43.81 71.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.364 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.522 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.7 mm? -62.15 -41.78 98.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.437 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 41.8 mt-10 -66.83 -31.59 72.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.925 0.393 . . . . 0.0 110.379 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.476 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.82 -45.7 85.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.345 -178.387 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.9 pt -87.98 -14.69 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.646 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.78 30.54 8.89 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.062 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.522 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -121.58 33.77 5.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.888 0.375 . . . . 0.0 110.244 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.476 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 12.2 pt-20 -61.31 -16.14 42.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.857 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.89 -17.17 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.972 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -119.02 6.03 11.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.969 -176.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.476 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 16.2 m -55.44 -46.61 76.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.401 . . . . 0.0 110.483 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.594 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 32.8 t -62.0 -39.48 92.37 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.92 176.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -56.24 -52.14 65.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.931 0.396 . . . . 0.0 110.346 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.4 mm? -59.72 -52.13 66.82 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.162 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.99 -45.04 71.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.129 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' ' 19' ' ' SER . 87.6 mt -68.68 -30.23 68.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.408 . . . . 0.0 111.037 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.418 ' ND2' ' HG ' ' B' ' 43' ' ' LEU . 27.7 m-80 -91.32 5.11 50.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.434 -177.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.84 -4.8 42.45 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.947 172.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.5 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.0 m-85 -89.67 82.62 6.29 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.192 0.52 . . . . 0.0 109.971 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -109.46 -11.89 14.77 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.763 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 66.7 p -128.5 167.95 16.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.497 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.9 -27.69 68.39 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.587 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.416 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 32.5 mt-10 -70.78 -26.71 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.702 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 53.2 m-20 -80.58 -47.64 13.88 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.505 ' HD1' HD12 ' B' ' 61' ' ' LEU . 41.7 t80 -65.46 -28.95 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.05 -173.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.6 ptpt -66.45 -9.11 30.85 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.877 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -104.63 2.46 30.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.338 0.59 . . . . 0.0 110.374 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.484 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -72.23 124.69 25.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.858 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.455 ' C ' HD11 ' B' ' 55' ' ' LEU . 21.9 mmt180 -121.14 167.03 13.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.52 ' N ' HD11 ' B' ' 55' ' ' LEU . 39.4 tt0 -63.63 -42.14 98.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.885 0.374 . . . . 0.0 110.631 -177.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 39.3 m -60.53 -23.5 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.398 0.618 . . . . 0.0 110.347 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' B' ' 36' ' ' ARG . 39.8 m170 -76.47 -40.57 49.99 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.484 ' CD1' HD11 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -59.63 -34.09 72.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.784 175.694 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASN . . . . . 0.409 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 5.3 m-20 -56.27 -40.56 74.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.328 0.585 . . . . 0.0 110.028 172.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.2 -33.2 59.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.865 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.418 ' HG ' ' ND2' ' B' ' 24' ' ' ASN . 10.9 mp -80.68 -1.0 40.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.111 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 67.0 t30 64.84 31.15 11.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.676 0.75 . . . . 0.0 110.783 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.468 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 60.9 mt -97.35 83.6 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.169 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' B' ' 46' ' ' MET . 3.8 mmt -93.29 -9.44 39.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.51 -172.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 32.9 m-20 -61.3 110.35 2.98 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 123.354 0.408 . . . . 0.0 110.105 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 32.4 Cg_exo -57.72 -47.16 22.4 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.729 2.952 . . . . 0.0 114.126 -171.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.633 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.3 mt-30 -68.04 -38.28 82.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.468 ' O ' ' HG ' ' B' ' 54' ' ' LEU . 13.8 m170 -66.91 -40.68 87.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.103 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.496 ' O ' HD22 ' B' ' 55' ' ' LEU . 44.0 mtp180 -56.56 -56.75 17.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.181 170.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -50.5 -43.6 55.76 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.488 -176.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 34.8 mtpt -66.26 -50.14 64.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.729 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 95.1 mt -55.8 -46.98 77.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.512 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.3 OUTLIER -63.26 -45.05 93.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.253 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.593 HG21 ' O ' ' A' ' 53' ' ' LYS . 35.8 m -62.77 -39.46 94.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.02 0.438 . . . . 0.0 110.732 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.646 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.85 -45.05 96.02 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.939 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.91 96.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 7.8 mm-40 -57.49 -54.0 51.84 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.359 178.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.5 mp -72.33 -31.76 65.94 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.282 -176.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.626 HD11 ' HG ' ' B' ' 8' ' ' LEU . 44.7 mt -67.49 -25.23 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.465 0.575 . . . . 0.0 110.797 176.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.449 HD23 ' NH2' ' A' ' 11' ' ' ARG . 33.4 tp -75.06 -32.46 61.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.791 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -103.62 -41.13 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.153 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.501 ' HB3' ' O ' ' A' ' 64' ' ' TYR . 97.2 m-85 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo . . . . . 0 CA--C 1.519 -0.272 0 CA-C-O 120.961 0.317 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -99.09 -22.29 15.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.751 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.2 p -127.26 174.59 8.82 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.708 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.7 tm? -59.91 -53.2 60.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.444 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -54.23 -42.35 69.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.217 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -62.18 -41.92 98.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.718 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.7 tm? -67.46 -43.33 81.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.214 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.1 mm? -60.85 -42.52 97.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.66 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.16 -35.36 80.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.698 0.285 . . . . 0.0 110.676 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -46.16 90.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.423 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.493 ' CG2' HG23 ' B' ' 56' ' ' THR . 36.7 pt -90.38 -13.19 9.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.849 -176.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.03 26.05 15.49 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.906 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.7 mm? -117.84 29.78 7.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.997 0.427 . . . . 0.0 110.064 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -22.32 60.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.164 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.1 pt-20 -56.55 -22.09 30.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.519 172.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.403 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 85.6 m-70 -115.98 10.82 15.24 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -176.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -55.34 -50.85 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.012 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.6 t -64.05 -32.67 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.978 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.3 m -60.33 -53.94 51.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.086 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 3.0 mm? -58.33 -51.81 68.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.722 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.49 -48.14 62.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.919 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.2 mt -74.69 -26.35 59.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.667 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.486 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 24.3 m-80 -90.23 7.16 39.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.901 0.382 . . . . 0.0 111.557 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.94 1.26 42.18 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.759 172.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HA ' ' CB ' ' A' ' 31' ' ' ASP . 96.0 m-85 -99.52 82.82 2.7 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.253 0.549 . . . . 0.0 109.789 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -106.79 -16.73 14.41 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.714 -172.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -127.98 168.09 15.76 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.458 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 8' ' ' LEU . 85.3 mt -64.83 -29.24 70.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.343 0.592 . . . . 0.0 109.556 174.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.31 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.459 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 57.7 m-20 -82.78 -45.0 14.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.002 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.502 ' HD2' HD12 ' A' ' 61' ' ' LEU . 51.9 t80 -62.86 -29.6 70.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.872 -173.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.62 -4.95 21.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.113 0.482 . . . . 0.0 111.05 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -103.41 -1.19 28.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.924 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -72.29 129.48 38.52 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.106 -177.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -130.01 166.39 20.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.247 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' N ' HD11 ' A' ' 55' ' ' LEU . 39.9 tt0 -60.77 -43.44 98.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 110.667 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.4 m -58.93 -29.06 66.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.315 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.42 ' O ' HD13 ' A' ' 43' ' ' LEU . 28.4 m170 -75.9 -39.77 55.66 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.175 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -57.98 -34.62 70.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 176.499 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -57.99 -43.48 86.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.247 0.546 . . . . 0.0 109.915 172.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.83 -34.03 68.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.017 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' HG ' ' CG ' ' A' ' 24' ' ' ASN . 11.0 mp -78.48 -0.51 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.175 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 t30 66.36 26.06 10.27 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.808 0.813 . . . . 0.0 110.732 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.417 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 57.5 mt -91.02 87.7 2.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.2 mmt -87.71 -11.08 49.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.053 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 25.6 m-20 -58.87 102.92 0.32 Allowed Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.662 0.601 . . . . 0.0 110.412 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 32.2 Cg_exo -58.77 -51.35 7.2 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.858 3.038 . . . . 0.0 114.055 -169.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.617 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.0 mt-30 -69.26 -36.02 76.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.179 0.514 . . . . 0.0 110.08 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 26.5 m170 -68.92 -37.96 79.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.888 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.647 ' O ' HD22 ' A' ' 55' ' ' LEU . 39.7 mtp85 -57.43 -53.42 58.32 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.029 171.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.02 -41.23 64.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.324 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 38.6 mtpt -64.76 -50.66 65.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.812 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 89.4 mt -54.05 -45.45 71.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.571 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.64 -44.75 95.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.816 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.6 HG21 ' O ' ' B' ' 53' ' ' LYS . 31.0 m -60.25 -42.27 94.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.304 0.573 . . . . 0.0 110.987 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.618 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.94 -45.41 93.79 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.255 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.64 89.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.5 mm-40 -57.6 -53.05 62.52 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.93 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.653 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.0 mp -70.62 -33.85 71.46 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.015 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.718 HD11 ' HG ' ' A' ' 8' ' ' LEU . 71.3 mt -67.85 -26.05 65.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.051 0.453 . . . . 0.0 110.775 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.472 HD23 ' NH2' ' B' ' 11' ' ' ARG . 34.6 tp -72.35 -32.9 66.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.584 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -99.93 -53.6 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.809 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.337 -174.0 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 N--CA 1.463 -0.275 0 CA-C-O 121.047 0.353 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -98.5 -22.54 15.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.795 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -127.21 174.49 8.89 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.705 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.52 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.7 tm? -59.68 -53.1 61.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.45 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -54.35 -42.52 70.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.193 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.92 -42.04 98.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.665 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.72 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.6 tm? -67.4 -43.37 81.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.377 -178.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -60.69 -42.53 97.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.761 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.2 -35.5 81.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.765 0.316 . . . . 0.0 110.717 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.472 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -60.13 -46.25 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.489 -178.386 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.489 ' CG2' HG23 ' A' ' 56' ' ' THR . 36.8 pt -90.39 -13.57 9.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.777 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.31 26.14 14.64 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.922 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.524 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.7 mm? -117.79 29.78 7.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.009 0.433 . . . . 0.0 110.154 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -22.42 60.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.11 176.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.74 -21.22 26.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.569 173.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -116.74 10.97 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.719 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.0 m -55.45 -50.95 68.5 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.027 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 25.0 t -64.09 -32.82 74.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.182 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 17.7 m -59.99 -53.9 52.37 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.153 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 3.0 mm? -58.3 -51.75 68.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.743 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.0 tp -51.56 -48.1 63.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.905 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 19' ' ' SER . 90.9 mt -74.74 -26.5 59.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.591 -176.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.472 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 22.6 m-80 -89.91 6.69 40.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.89 0.376 . . . . 0.0 111.439 -177.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.96 1.51 42.15 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.866 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.476 ' HA ' ' CB ' ' B' ' 31' ' ' ASP . 96.2 m-85 -99.68 83.02 2.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.333 0.587 . . . . 0.0 109.727 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -106.9 -16.65 14.41 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.714 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 58.6 p -127.99 168.35 15.41 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.303 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' B' ' 8' ' ' LEU . 85.7 mt -65.07 -29.19 70.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 109.446 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.33 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.487 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 54.9 m-20 -82.57 -45.1 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.011 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.505 ' HD2' HD12 ' B' ' 61' ' ' LEU . 51.9 t80 -63.17 -29.6 70.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.872 -173.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.35 -5.24 22.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.185 0.517 . . . . 0.0 111.031 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -103.17 -1.05 29.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.283 0.563 . . . . 0.0 110.03 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -72.3 129.52 38.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.115 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -130.06 166.25 20.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.114 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.415 ' N ' HD11 ' B' ' 55' ' ' LEU . 39.4 tt0 -60.81 -43.3 98.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.233 0.539 . . . . 0.0 110.658 -177.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 63.1 m -59.12 -28.84 66.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.379 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.414 ' O ' HD13 ' B' ' 43' ' ' LEU . 28.0 m170 -76.17 -39.66 54.37 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.156 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -58.08 -34.46 70.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.275 176.445 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -58.07 -43.42 86.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.168 0.509 . . . . 0.0 109.891 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.99 -33.87 68.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.932 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.472 ' HG ' ' CG ' ' B' ' 24' ' ' ASN . 10.9 mp -78.63 -0.07 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.079 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.17 25.54 10.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.788 0.804 . . . . 0.0 110.802 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.421 ' O ' ' HD2' ' B' ' 51' ' ' ARG . 56.5 mt -90.62 87.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.325 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 32.6 mmt -87.51 -11.72 48.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.066 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.476 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 23.5 m-20 -58.24 102.89 0.32 Allowed Pre-proline 0 N--CA 1.465 0.282 0 O-C-N 123.732 0.645 . . . . 0.0 110.429 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 34.0 Cg_exo -58.9 -51.13 7.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.87 3.046 . . . . 0.0 114.082 -169.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.638 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 53.5 mt-30 -69.44 -36.13 76.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.227 0.537 . . . . 0.0 110.061 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.476 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 26.0 m170 -68.72 -38.11 79.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.989 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.649 ' O ' HD22 ' B' ' 55' ' ' LEU . 40.5 mtp85 -57.39 -53.37 58.96 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.012 171.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.603 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.18 -41.07 64.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.255 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 38.4 mtpt -64.79 -50.83 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 89.2 mt -53.99 -45.23 71.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.583 -179.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.649 HD22 ' O ' ' B' ' 51' ' ' ARG . 0.1 OUTLIER -62.98 -44.59 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.764 179.684 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 53' ' ' LYS . 30.9 m -60.27 -42.36 95.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.874 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.653 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -61.96 -45.36 93.98 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.316 178.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.29 89.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.6 mm-40 -57.89 -52.9 63.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.92 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.618 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.9 mp -70.69 -33.84 71.33 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.064 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.72 HD11 ' HG ' ' B' ' 8' ' ' LEU . 71.9 mt -67.72 -26.02 65.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.127 0.489 . . . . 0.0 110.833 177.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -72.24 -33.22 67.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.552 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -100.07 -52.75 3.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.924 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.34 -174.285 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.446 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 30.1 Cg_exo . . . . . 0 N--CA 1.461 -0.397 0 CA-C-O 121.084 0.368 . . . . 0.0 112.228 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -98.94 -14.59 19.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.154 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.9 p -124.63 170.3 11.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.479 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.2 tm? -63.48 -49.04 75.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.337 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -58.06 -42.25 85.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.058 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.44 -40.54 87.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.55 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.602 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.7 tm? -68.93 -42.7 76.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.339 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.6 mm? -61.9 -41.46 97.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 40.4 mt-10 -68.57 -29.41 67.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 110.553 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.51 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -64.74 -39.85 94.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.453 -178.493 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.9 pt -97.38 -11.25 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.898 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.74 32.18 9.45 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.837 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.4 mm? -122.23 27.67 7.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.666 0.269 . . . . 0.0 110.688 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.422 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 11.9 pt-20 -57.67 -20.33 32.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.15 -20.78 60.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.248 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -116.08 8.99 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -54.62 -47.11 73.82 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.176 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 40.2 t -63.54 -40.02 95.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.098 177.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 m -54.59 -49.26 70.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.185 0.517 . . . . 0.0 110.444 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.4 mm? -63.32 -53.41 53.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.341 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -53.77 -43.33 69.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.222 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 19' ' ' SER . 93.2 mt -63.23 -35.21 79.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.003 0.43 . . . . 0.0 111.35 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -96.72 11.63 34.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.615 -174.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.59 -3.2 49.67 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.254 170.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.536 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 93.9 m-85 -88.82 76.45 7.97 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.051 0.453 . . . . 0.0 109.908 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -105.47 -12.09 16.14 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.826 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.2 p -127.04 165.18 19.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.375 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.24 -26.67 67.47 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.18 -31.67 72.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.426 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 62.6 m-20 -82.11 -41.49 20.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.138 0.494 . . . . 0.0 109.873 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 35.9 t80 -66.24 -27.98 68.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.571 -175.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -72.73 -4.6 32.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.18 0.514 . . . . 0.0 110.614 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -105.5 0.31 26.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 109.388 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 40' ' ' LEU . 2.3 tm? -75.06 121.04 21.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.611 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.461 ' C ' HD11 ' A' ' 55' ' ' LEU . 36.4 mmt180 -126.18 162.5 25.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.901 -174.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.54 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.7 tt0 -58.73 -39.96 82.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.054 0.454 . . . . 0.0 110.785 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.3 m -58.51 -30.68 67.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.233 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.664 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 56.8 m170 -77.89 -29.73 50.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.017 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 35' ' ' LEU . 8.7 mp -66.81 -32.48 73.78 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.709 0.29 . . . . 0.0 110.419 175.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.546 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 95.9 m-20 -60.61 -36.72 79.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.294 0.569 . . . . 0.0 109.612 173.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.77 -37.25 65.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.274 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 53.0 mt -75.95 -8.78 57.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.232 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.89 23.15 6.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.375 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -86.54 84.88 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.681 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.546 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 24.0 mmt -90.06 -12.38 38.66 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.403 -173.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 3.1 m-20 -59.84 110.0 2.44 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-O 120.958 0.409 . . . . 0.0 110.29 177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 31.7 Cg_exo -58.15 -51.85 6.91 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.919 3.079 . . . . 0.0 114.487 -170.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 35.3 mt-30 -65.63 -39.25 91.27 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.126 0.489 . . . . 0.0 110.089 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -64.62 -38.77 92.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.726 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 53.4 mtp180 -57.07 -57.25 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.184 171.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.55 -42.76 62.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.515 -176.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.602 ' O ' HG21 ' B' ' 56' ' ' THR . 33.0 mtpt -66.46 -50.62 62.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.911 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.9 mt -54.83 -45.93 74.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.523 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.616 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -65.87 -43.12 89.29 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.442 -179.684 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.571 HG21 ' O ' ' B' ' 53' ' ' LYS . 35.5 m -61.3 -40.55 94.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.18 0.514 . . . . 0.0 110.68 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.637 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.81 -45.29 94.5 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.255 176.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -41.41 92.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.6 mm-40 -57.56 -54.38 47.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.736 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.594 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.8 mp -69.43 -35.36 75.63 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.912 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.602 HD11 ' HG ' ' A' ' 8' ' ' LEU . 52.9 mt -64.78 -24.51 67.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.171 0.442 . . . . 0.0 111.346 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.513 HD23 ' NH2' ' B' ' 11' ' ' ARG . 37.1 tp -73.76 -34.61 64.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.77 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -101.06 -34.53 9.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.145 0.498 . . . . 0.0 111.804 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.44 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 98.9 m-85 . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.432 -174.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.428 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 27.9 Cg_exo . . . . . 0 N--CA 1.463 -0.32 0 CA-C-O 121.127 0.386 . . . . 0.0 112.317 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -98.96 -14.34 19.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.264 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -124.95 170.48 11.07 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.334 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.519 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -63.86 -48.91 74.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.224 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -57.98 -42.2 84.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.112 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -59.61 -40.32 87.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.586 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.7 tm? -69.03 -42.83 75.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.314 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.528 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.6 mm? -61.7 -41.66 97.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.428 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 40.4 mt-10 -68.23 -29.77 68.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.894 0.378 . . . . 0.0 110.476 176.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.513 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.71 -39.74 94.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.357 -178.152 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.478 ' CG2' HG23 ' A' ' 56' ' ' THR . 41.7 pt -97.36 -11.2 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.803 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.27 32.78 9.27 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.73 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.528 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.3 mm? -122.59 28.03 7.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.774 0.321 . . . . 0.0 110.667 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.428 ' HB3' ' HG2' ' B' ' 10' ' ' GLU . 11.8 pt-20 -58.11 -20.3 38.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.05 -20.48 58.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.21 176.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -116.21 8.9 14.47 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -54.66 -46.93 74.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.151 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 47.3 t -63.67 -40.31 96.51 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.129 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 11.9 m -54.19 -49.35 69.56 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.091 0.472 . . . . 0.0 110.42 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.4 mm? -63.29 -53.52 51.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.244 176.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -53.6 -43.32 68.5 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.267 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 19' ' ' SER . 93.2 mt -63.38 -35.07 79.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.065 0.46 . . . . 0.0 111.298 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -96.6 11.0 36.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.585 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.14 -3.38 47.8 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.245 170.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.539 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 93.4 m-85 -88.7 76.46 8.06 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.132 0.492 . . . . 0.0 109.891 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -105.66 -11.79 16.18 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.677 -174.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -127.29 165.13 20.27 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.324 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.27 -26.49 67.36 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 174.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.32 -31.95 73.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.372 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.469 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 62.7 m-20 -81.83 -41.44 21.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.047 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 36.2 t80 -66.36 -27.82 68.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.617 -175.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.14 -3.87 29.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.316 0.579 . . . . 0.0 110.607 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -105.9 0.04 25.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.773 0.797 . . . . 0.0 109.445 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.717 HD11 HD11 ' B' ' 40' ' ' LEU . 2.3 tm? -74.98 121.01 21.3 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.636 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.466 ' C ' HD11 ' B' ' 55' ' ' LEU . 36.4 mmt180 -126.15 162.37 25.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.924 -174.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.536 ' N ' HD11 ' B' ' 55' ' ' LEU . 44.5 tt0 -58.42 -39.94 81.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.036 0.446 . . . . 0.0 110.811 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.6 m -58.56 -30.8 67.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.512 0.672 . . . . 0.0 110.443 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.654 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 56.5 m170 -77.73 -29.94 51.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.839 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.717 HD11 HD11 ' B' ' 35' ' ' LEU . 8.7 mp -66.67 -32.53 73.9 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 110.421 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASN . . . . . 0.593 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 95.6 m-20 -60.49 -36.8 79.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.568 . . . . 0.0 109.582 173.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.83 -36.86 64.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.394 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 53.3 mt -76.17 -9.32 58.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.2 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 69.14 23.56 6.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.381 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 67.8 mt -86.98 84.89 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.609 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.593 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 24.1 mmt -90.1 -12.16 39.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.46 -173.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.71 109.91 2.34 Favored Pre-proline 0 N--CA 1.464 0.275 0 O-C-N 123.442 0.464 . . . . 0.0 110.396 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 31.8 Cg_exo -58.06 -52.01 6.67 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.976 3.117 . . . . 0.0 114.438 -170.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.599 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 35.8 mt-30 -65.54 -39.4 91.71 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.089 0.471 . . . . 0.0 110.224 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -64.51 -38.7 91.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.692 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 53.3 mtp180 -57.23 -57.11 14.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.182 171.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.507 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.62 -42.78 62.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.604 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 32.9 mtpt -66.29 -50.68 62.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.87 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.9 -45.91 74.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.484 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.626 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.5 OUTLIER -65.94 -42.99 89.34 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.454 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.602 HG21 ' O ' ' A' ' 53' ' ' LYS . 34.6 m -61.44 -40.42 94.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.085 0.469 . . . . 0.0 110.757 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.594 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -61.89 -45.21 94.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 176.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -41.44 92.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.7 mm-40 -57.55 -54.5 46.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.637 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.637 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.8 mp -69.31 -35.42 75.95 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.963 -176.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.615 HD11 ' HG ' ' B' ' 8' ' ' LEU . 53.2 mt -64.82 -24.29 67.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 118.192 0.451 . . . . 0.0 111.346 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.51 HD23 ' NH2' ' A' ' 11' ' ' ARG . 37.6 tp -74.34 -33.78 63.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -101.79 -34.24 9.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.073 0.463 . . . . 0.0 111.793 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.446 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 98.9 m-85 . . . . . 0 C--N 1.319 -0.739 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.457 -174.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo . . . . . 0 N--CA 1.46 -0.449 0 CA-C-O 121.138 0.391 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -100.76 -6.53 24.81 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.62 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.2 p -125.65 163.97 21.63 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.191 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.513 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.6 tm? -65.44 -43.35 90.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.968 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.57 -48.15 75.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.938 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.35 -31.8 73.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.839 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -70.3 -42.22 72.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.533 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.8 mm? -62.17 -39.61 93.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.462 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 44.1 mt-10 -68.86 -30.47 69.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.919 0.39 . . . . 0.0 110.446 176.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -41.44 96.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.979 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.2 pt -92.84 -14.6 8.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.889 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.42 27.49 13.11 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.812 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.8 mm? -119.09 31.39 6.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.96 0.41 . . . . 0.0 110.127 178.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 12.8 pt-20 -59.61 -19.11 46.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.816 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.6 pt-20 -60.87 -19.69 60.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.082 175.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.478 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 78.4 m-70 -120.09 9.91 11.28 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.1 m -54.53 -48.08 72.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 110.475 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 23.0 t -64.72 -37.12 86.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.115 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.0 m -55.19 -49.3 72.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.038 0.447 . . . . 0.0 110.45 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.506 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.7 mm? -64.12 -51.42 64.05 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.444 177.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CD1' HD12 ' A' ' 5' ' ' LEU . 5.7 mp -54.19 -44.93 72.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.087 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 19' ' ' SER . 90.1 mt -67.52 -25.39 65.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.329 -177.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -100.95 11.24 40.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.088 0.471 . . . . 0.0 111.446 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.12 -10.19 56.71 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.793 -0.717 . . . . 0.0 113.083 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.506 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.3 m-85 -83.34 76.24 9.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.114 0.483 . . . . 0.0 109.849 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -108.74 -1.75 19.13 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.467 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.6 p -133.87 157.94 44.68 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.147 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.81 -26.39 65.16 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.766 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.67 -24.4 59.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.014 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.7 -35.43 15.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.513 ' CD2' HD21 ' A' ' 5' ' ' LEU . 44.4 t80 -67.45 -25.8 66.08 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.308 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 18.2 ptpt -69.67 -4.27 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.811 -0.555 . . . . 0.0 110.68 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.71 0.93 33.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.69 175.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -71.28 131.31 43.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.708 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -132.03 166.55 21.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.926 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.531 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.2 tt0 -67.98 -37.49 81.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.081 0.467 . . . . 0.0 109.759 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -60.51 -30.9 70.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.835 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.746 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 65.6 m170 -76.13 -31.24 58.52 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.746 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.593 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 6.9 mp -68.45 -31.83 71.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.83 175.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.12 -32.56 71.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.482 0.658 . . . . 0.0 109.505 172.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 12.0 mm-40 -78.16 -37.5 45.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.353 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 62.7 mt -78.15 -3.3 41.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.287 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 67.77 28.62 7.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.772 0.796 . . . . 0.0 110.168 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 54.0 mt -100.69 77.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.494 178.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.4 -9.13 57.96 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.992 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 21.9 m-20 -60.68 109.53 2.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.569 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 48.9 Cg_exo -56.02 -46.91 27.67 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.963 3.109 . . . . 0.0 114.281 -171.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 51.6 mt-30 -69.34 -36.88 77.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.349 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -66.74 -39.71 88.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 41.8 mtp180 -57.53 -54.77 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.248 171.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.18 -43.64 64.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.397 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 27.9 mtpt -67.72 -53.21 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.139 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.431 HD12 HD21 ' A' ' 40' ' ' LEU . 84.7 mt -56.0 -42.71 76.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.412 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 3.7 mm? -64.9 -43.87 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.558 HG21 ' O ' ' B' ' 53' ' ' LYS . 48.2 m -64.57 -38.57 91.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.061 0.458 . . . . 0.0 110.658 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.604 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.76 -45.0 96.03 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.967 175.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.21 99.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 9.0 mm-40 -57.63 -52.66 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.952 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.0 mp -68.57 -43.93 75.52 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.579 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.477 HD11 ' HG ' ' A' ' 8' ' ' LEU . 77.2 mt -59.92 -27.15 66.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.251 0.478 . . . . 0.0 111.122 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 50.8 tp -62.32 -37.51 85.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.737 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -106.66 -25.77 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.369 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.462 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.322 -0.626 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -170.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo . . . . . 0 N--CA 1.463 -0.293 0 CA-C-O 121.14 0.392 . . . . 0.0 112.197 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -100.87 -7.07 23.87 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.567 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.1 p -125.14 163.7 21.85 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.279 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.6 tm? -65.17 -43.46 91.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.937 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.37 -48.21 74.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.914 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.4 -31.59 72.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.967 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.482 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -70.47 -42.0 72.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.635 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.504 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.8 mm? -62.41 -39.56 93.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.84 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.46 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 44.9 mt-10 -69.07 -30.24 68.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.909 0.385 . . . . 0.0 110.46 176.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.412 ' NH1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.22 -41.48 97.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.087 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.9 pt -93.08 -14.22 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.891 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.09 27.4 13.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.795 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.504 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.7 mm? -119.01 31.16 6.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.903 0.382 . . . . 0.0 110.144 178.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.46 ' HB3' ' HG2' ' B' ' 10' ' ' GLU . 12.7 pt-20 -59.53 -19.04 45.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.758 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 11.6 pt-20 -61.04 -19.63 61.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.025 175.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.467 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 78.7 m-70 -120.12 10.06 11.31 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -175.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.8 m -54.81 -47.58 73.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.945 0.402 . . . . 0.0 110.563 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 22.7 t -65.15 -37.39 87.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.919 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.7 m -54.82 -49.4 71.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.953 0.406 . . . . 0.0 110.491 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.518 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.7 mm? -64.08 -51.56 63.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.38 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' B' ' 5' ' ' LEU . 5.7 mp -54.02 -45.32 71.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.053 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 19' ' ' SER . 90.9 mt -67.1 -25.19 66.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.399 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -101.04 11.06 40.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.183 0.516 . . . . 0.0 111.48 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.2 -10.41 56.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.075 171.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.518 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.1 m-85 -83.11 76.07 9.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.2 0.524 . . . . 0.0 109.896 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -108.67 -1.8 19.19 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.561 -176.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.1 p -133.71 158.03 44.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.347 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 73.6 mt -68.61 -26.77 65.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.705 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.37 -24.28 60.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.056 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -89.93 -35.51 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.144 0.497 . . . . 0.0 109.685 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' B' ' 5' ' ' LEU . 44.1 t80 -67.3 -25.56 66.09 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.3 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 18.3 ptpt -69.67 -4.64 20.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.808 -0.558 . . . . 0.0 110.662 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.24 0.66 34.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.802 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.557 HD11 HD11 ' B' ' 40' ' ' LEU . 3.3 tm? -71.15 131.34 43.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.786 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -132.22 166.31 22.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.9 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.526 ' N ' HD11 ' B' ' 55' ' ' LEU . 43.7 tt0 -67.5 -37.58 83.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.136 0.493 . . . . 0.0 109.861 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 17.9 m -60.77 -30.73 70.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.811 174.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.753 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 65.8 m170 -75.98 -31.35 58.96 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.818 178.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.587 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 6.9 mp -68.55 -31.69 71.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.769 175.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.26 -32.36 71.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.371 0.605 . . . . 0.0 109.453 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 39' ' ' HIS . 11.2 mm-40 -78.35 -37.31 44.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.431 176.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 63.1 mt -78.28 -3.54 43.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.286 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 68.1 28.26 6.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.193 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.454 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 54.4 mt -100.26 77.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.529 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 26.1 mmt -85.34 -8.63 58.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.949 -175.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 22.3 m-20 -61.16 109.83 2.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.571 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 47.0 Cg_exo -56.11 -46.68 29.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.938 3.092 . . . . 0.0 114.243 -171.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 51.5 mt-30 -69.67 -36.76 76.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.934 0.397 . . . . 0.0 110.32 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -66.77 -39.7 87.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.587 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 42.1 mtp180 -57.5 -54.78 42.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.315 171.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.2 -43.57 64.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.438 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 27.9 mtpt -67.68 -53.22 29.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.138 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.412 HD12 HD21 ' B' ' 40' ' ' LEU . 84.3 mt -55.89 -42.89 76.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.327 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 3.7 mm? -64.88 -43.67 92.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.552 HG21 ' O ' ' A' ' 53' ' ' LYS . 50.8 m -64.69 -38.55 91.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.929 0.395 . . . . 0.0 110.501 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.631 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.95 -45.05 96.28 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.889 176.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.13 99.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.031 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 10.5 mm-40 -57.74 -52.66 64.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.882 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.1 mp -68.56 -44.02 75.38 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.665 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' B' ' 8' ' ' LEU . 77.1 mt -59.88 -27.34 66.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.139 0.427 . . . . 0.0 111.061 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' B' ' 59' ' ' GLU . 50.0 tp -61.88 -38.14 87.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.812 177.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -106.07 -26.06 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.27 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.323 -0.574 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -170.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD3' ' OD2' ' B' ' 63' ' ' ASP . 3.2 Cg_exo . . . . . 0 N--CA 1.459 -0.529 0 CA-C-O 120.95 0.313 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -102.3 -22.35 14.15 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.193 0.521 . . . . 0.0 109.911 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.48 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 48.8 p -114.87 171.07 7.87 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.501 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.5 tm? -63.22 -47.11 83.88 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.28 -178.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.45 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 53.7 t-80 -53.37 -46.67 69.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.369 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.48 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 24.9 mm-40 -68.46 -33.49 74.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.435 -176.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.56 ' HG ' HD11 ' A' ' 61' ' ' LEU . 3.0 tm? -66.76 -42.73 85.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.1 mm? -62.2 -38.25 88.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.09 -31.78 69.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.832 0.349 . . . . 0.0 110.556 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HD2' ' HB3' ' B' ' 59' ' ' GLU . 14.3 tpp180 -61.2 -43.75 98.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.487 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.3 pt -91.18 -12.86 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.873 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.79 20.45 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.544 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.9 mm? -118.35 30.32 7.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.926 0.394 . . . . 0.0 110.272 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.509 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.3 pt-20 -59.28 -19.26 44.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -58.21 -21.69 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.047 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -121.22 12.69 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.987 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.509 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 13.3 m -56.52 -47.11 80.07 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.452 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.492 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.3 m -64.13 -35.78 81.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.413 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -58.24 -51.87 67.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.062 0.458 . . . . 0.0 110.1 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.1 mm? -63.19 -52.87 60.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.14 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 tp -52.16 -48.48 64.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.969 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 19' ' ' SER . 92.9 mt -70.87 -26.93 63.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.471 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -96.14 18.8 12.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.624 -176.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.31 -7.54 56.53 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.704 -0.76 . . . . 0.0 113.0 170.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 95.0 m-85 -90.92 82.3 5.65 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.269 0.556 . . . . 0.0 109.963 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -109.5 -17.57 13.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.932 -174.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 p -125.25 168.79 12.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -68.69 -27.45 65.97 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.37 -28.89 67.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.545 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.484 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 61.1 m-20 -78.63 -48.07 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.009 0.433 . . . . 0.0 109.856 175.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CD2' HD21 ' A' ' 5' ' ' LEU . 42.5 t80 -63.38 -27.93 69.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.909 -173.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 17.6 ptpt -67.12 -9.4 39.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.012 -0.43 . . . . 0.0 111.021 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -100.07 2.81 43.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.392 0.615 . . . . 0.0 110.215 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.3 tm? -71.17 132.26 44.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.444 -178.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -128.64 162.78 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.12 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' N ' HD11 ' A' ' 55' ' ' LEU . 45.1 tt0 -65.86 -40.78 91.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.931 0.396 . . . . 0.0 110.249 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 38.8 m -61.78 -26.09 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.096 176.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.755 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 37.3 m170 -75.45 -35.0 61.0 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 5.4 mp -65.75 -34.33 77.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.538 174.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.2 m-20 -58.17 -36.52 73.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.424 0.63 . . . . 0.0 109.909 171.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 38' ' ' THR . 18.8 mm-40 -74.04 -39.89 63.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.555 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.755 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 49.2 mt -78.25 -5.58 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.971 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 66.97 32.29 6.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.493 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 64.7 mt -94.62 79.99 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 175.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.412 ' HA ' ' HE2' ' A' ' 46' ' ' MET . 2.2 mmt -88.08 -11.04 48.29 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.455 -172.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 9.1 m-20 -59.12 110.1 2.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.475 177.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 32.0 Cg_exo -58.33 -49.15 13.02 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.893 3.062 . . . . 0.0 114.391 -170.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.5 mt-30 -68.58 -35.08 76.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.091 0.472 . . . . 0.0 109.945 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -67.63 -39.43 84.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.405 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HG2' HD23 ' A' ' 40' ' ' LEU . 41.9 mtp180 -57.87 -53.54 57.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.262 171.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.454 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.57 -43.11 65.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.364 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.591 ' O ' HG21 ' B' ' 56' ' ' THR . 29.0 mtpt -66.39 -51.73 54.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.975 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -55.73 -43.93 77.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.402 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.514 HD11 ' N ' ' A' ' 37' ' ' GLU . 3.9 mm? -65.8 -40.67 92.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.433 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.568 HG21 ' O ' ' B' ' 53' ' ' LYS . 40.8 m -65.17 -41.49 94.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.07 0.462 . . . . 0.0 110.633 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.33 -43.51 98.74 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.113 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.59 92.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.526 ' HB3' ' HD2' ' B' ' 11' ' ' ARG . 30.4 mm-40 -57.98 -48.62 79.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.529 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.636 HD22 ' HA ' ' B' ' 57' ' ' ALA . 7.3 mp -68.4 -48.24 65.2 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.44 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.56 HD11 ' HG ' ' A' ' 8' ' ' LEU . 60.9 mt -56.77 -25.89 56.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.622 0.248 . . . . 0.0 111.236 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.04 -42.18 76.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.48 ' OD2' ' HD3' ' B' ' 2' ' ' PRO . 40.6 m-20 -107.87 -28.79 9.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.037 0.446 . . . . 0.0 112.142 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.476 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 98.2 m-85 . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -169.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.48 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 2.8 Cg_exo . . . . . 0 N--CA 1.459 -0.531 0 CA-C-O 120.952 0.313 . . . . 0.0 111.798 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -102.64 -22.19 14.01 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.178 0.513 . . . . 0.0 109.972 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.471 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 48.6 p -114.57 171.65 7.51 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.508 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.5 tm? -63.89 -46.98 82.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.098 -178.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.447 ' HA ' ' CG2' ' B' ' 18' ' ' THR . 53.6 t-80 -53.37 -46.69 69.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.405 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.471 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.2 mm-40 -68.42 -33.5 74.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.498 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.57 ' HG ' HD11 ' B' ' 61' ' ' LEU . 3.0 tm? -66.82 -42.7 85.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.496 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -62.23 -38.17 88.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -70.07 -31.92 69.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.769 0.318 . . . . 0.0 110.428 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.526 ' HD2' ' HB3' ' A' ' 59' ' ' GLU . 14.3 tpp180 -61.11 -43.97 98.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.587 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.488 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.0 pt -90.93 -13.18 9.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.791 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.13 28.52 20.23 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.556 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.496 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.9 mm? -118.14 30.17 7.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.813 0.34 . . . . 0.0 110.212 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.504 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 12.3 pt-20 -59.21 -18.88 40.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.577 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -59.06 -20.2 51.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.142 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -122.19 12.94 10.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.996 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.504 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 14.3 m -56.71 -47.17 80.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.406 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.48 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 15.2 m -63.99 -36.05 82.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.312 178.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -57.96 -51.97 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.033 0.444 . . . . 0.0 110.064 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.509 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.0 mm? -63.2 -52.81 60.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.239 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 tp -52.15 -48.58 64.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.826 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' B' ' 19' ' ' SER . 92.8 mt -70.72 -27.17 63.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.515 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -95.98 18.6 13.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.974 0.416 . . . . 0.0 111.605 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.68 -7.9 56.0 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.009 170.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 95.1 m-85 -90.67 82.51 5.77 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.313 0.578 . . . . 0.0 110.146 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -109.62 -17.53 13.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.966 -173.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 53.0 p -125.34 169.16 12.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.458 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.79 -26.9 65.44 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.26 -28.42 66.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.542 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 58.1 m-20 -78.92 -48.0 15.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.075 0.464 . . . . 0.0 109.8 175.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.423 ' CD2' HD21 ' B' ' 5' ' ' LEU . 42.5 t80 -63.29 -27.9 69.65 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.926 -173.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.463 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 17.7 ptpt -67.21 -9.29 38.78 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.143 178.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -100.24 3.05 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.329 0.585 . . . . 0.0 110.108 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.464 HD11 HD11 ' B' ' 40' ' ' LEU . 3.3 tm? -71.36 132.03 44.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.33 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -128.62 162.82 26.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.063 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.505 ' N ' HD11 ' B' ' 55' ' ' LEU . 45.3 tt0 -65.78 -40.64 92.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 0.0 110.4 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 51.7 m -62.18 -25.63 67.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.351 0.596 . . . . 0.0 110.226 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.75 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 37.8 m170 -75.52 -34.84 60.81 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.488 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 5.4 mp -66.01 -34.33 77.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.355 174.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' B' ' 38' ' ' THR . 6.1 m-20 -58.26 -36.49 73.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.336 0.589 . . . . 0.0 109.761 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 38' ' ' THR . 22.7 mm-40 -73.91 -40.01 63.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.63 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 48.7 mt -78.17 -5.42 51.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.068 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 67.11 31.65 6.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.488 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 64.4 mt -94.23 79.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.966 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 2.1 mmt -87.61 -11.22 49.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.571 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -58.85 110.08 2.37 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.362 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.41 -49.46 12.11 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.936 3.091 . . . . 0.0 114.342 -170.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.8 mt-30 -68.28 -35.1 77.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.061 0.458 . . . . 0.0 109.977 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -67.72 -39.53 84.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.383 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.451 ' HG2' HD23 ' B' ' 40' ' ' LEU . 42.3 mtp180 -57.46 -53.84 53.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.275 171.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.454 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.55 -43.05 64.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.252 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 29.1 mtpt -66.34 -51.76 54.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.991 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 88.7 mt -55.73 -44.07 77.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.372 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.505 HD11 ' N ' ' B' ' 37' ' ' GLU . 3.9 mm? -65.7 -40.66 92.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.421 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.591 HG21 ' O ' ' A' ' 53' ' ' LYS . 40.6 m -65.29 -41.38 94.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.13 0.49 . . . . 0.0 110.631 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.636 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -61.33 -43.53 98.71 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.073 177.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.59 92.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.791 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.503 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 32.2 mm-40 -57.87 -48.58 79.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.505 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.3 mp -68.6 -48.14 64.9 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.372 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.57 HD11 ' HG ' ' B' ' 8' ' ' LEU . 60.9 mt -56.9 -25.87 57.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.761 0.255 . . . . 0.0 111.281 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.95 -42.12 75.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 177.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.464 ' OD2' ' HD3' ' A' ' 2' ' ' PRO . 38.1 m-20 -108.32 -28.02 9.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.171 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.476 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . 98.2 m-85 . . . . . 0 C--N 1.319 -0.744 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -169.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo . . . . . 0 C--O 1.233 0.256 0 CA-C-O 121.205 0.419 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -87.42 -20.54 26.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.431 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.617 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 70.9 p -123.41 170.13 10.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.184 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.2 tm? -65.49 -43.11 91.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.87 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -53.76 -47.19 70.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.088 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.617 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 26.7 mm-40 -67.04 -31.8 72.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.349 -177.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.516 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.9 tm? -69.63 -43.32 72.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.118 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.1 mm? -63.0 -41.16 99.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.867 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.435 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 42.4 mt-10 -67.67 -28.01 67.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.008 0.432 . . . . 0.0 110.369 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.551 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -67.18 -44.62 79.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.183 -178.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.2 pt -93.02 -6.78 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.901 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.7 28.28 24.51 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.787 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.535 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.5 mm? -119.46 28.41 8.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.847 0.356 . . . . 0.0 110.569 177.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.489 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.6 pt-20 -59.42 -17.31 29.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.831 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.63 -23.12 67.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.091 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -114.34 7.46 16.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.876 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.489 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 7.2 m -54.88 -44.02 73.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.794 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 29.4 m -57.66 -42.26 83.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.874 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -56.54 -48.08 78.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.93 0.395 . . . . 0.0 110.712 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -63.74 -52.47 60.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.169 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' CD1' HD12 ' A' ' 5' ' ' LEU . 6.0 mp -55.38 -41.37 72.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.232 -178.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 19' ' ' SER . 89.2 mt -69.86 -26.62 64.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.856 0.36 . . . . 0.0 111.336 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -100.6 12.34 37.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.968 0.413 . . . . 0.0 111.373 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.44 -8.95 58.86 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.111 171.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.491 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 87.1 m-85 -83.7 73.34 10.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.228 0.537 . . . . 0.0 109.757 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -104.61 -9.58 18.15 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.165 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.8 p -128.2 160.43 32.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.277 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' ' 8' ' ' LEU . 69.2 mt -69.01 -27.62 65.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.386 0.613 . . . . 0.0 109.686 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.496 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 44.3 mt-10 -68.52 -27.98 66.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.757 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -90.41 -38.34 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.094 0.474 . . . . 0.0 110.094 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 66.0 t80 -64.88 -26.93 68.54 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.054 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 17.2 ptpt -67.73 -12.44 60.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.184 0.516 . . . . 0.0 110.965 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -96.79 -4.3 40.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.678 0.751 . . . . 0.0 109.427 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 40' ' ' LEU . 2.9 tm? -74.97 123.66 25.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.045 177.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -131.32 174.68 9.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.052 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.96 -45.76 91.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.1 m -59.42 -27.26 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.322 0.582 . . . . 0.0 110.323 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.725 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 13.3 m170 -76.64 -34.52 58.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.888 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 35' ' ' LEU . 6.7 mp -67.26 -31.88 72.52 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 176.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.401 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 88.8 m-20 -60.21 -33.17 71.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.303 0.573 . . . . 0.0 109.625 173.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -78.06 -38.2 44.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.435 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 60.7 mt -77.07 -3.11 37.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.354 -177.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.6 t30 71.28 14.56 6.51 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.623 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.452 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 61.2 mt -82.57 77.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.668 0.746 . . . . 0.0 109.226 177.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.401 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 3.8 mmt -84.18 -3.13 57.94 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.341 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.571 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 62.4 m-20 -58.15 107.01 0.79 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.882 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.65 -52.08 4.23 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.399 2.733 . . . . 0.0 114.077 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.571 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.4 mt-30 -71.64 -34.24 69.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.329 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 60.7 m170 -67.16 -39.5 86.49 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.822 178.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 32.0 mtp180 -54.69 -55.11 33.22 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.792 170.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.503 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.68 -44.29 63.06 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.459 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 30.4 mtpt -68.19 -53.93 21.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.147 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -53.11 -45.8 68.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.102 0.477 . . . . 0.0 111.335 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.655 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -64.84 -46.25 82.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.733 -178.741 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.529 HG21 ' O ' ' B' ' 53' ' ' LYS . 81.2 m -59.9 -40.04 87.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.012 0.434 . . . . 0.0 110.889 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -58.88 -48.72 80.4 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.052 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.5 91.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.286 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 16.0 mm-40 -56.36 -54.9 40.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.26 0.552 . . . . 0.0 110.046 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' B' ' 57' ' ' ALA . 7.6 mp -67.39 -40.3 85.64 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.78 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 8' ' ' LEU . 95.2 mt -64.28 -21.87 66.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.789 0.328 . . . . 0.0 111.725 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.584 HD23 ' NH2' ' B' ' 11' ' ' ARG . 34.4 tp -74.55 -26.92 60.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.949 0.404 . . . . 0.0 110.563 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -105.61 -45.31 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.859 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.034 -174.754 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo . . . . . 0 N--CA 1.463 -0.28 0 CA-C-O 121.127 0.386 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -87.39 -20.21 27.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.447 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.612 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 73.9 p -123.54 170.22 10.63 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.064 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.529 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.3 tm? -65.73 -42.98 90.38 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.74 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -53.6 -47.08 70.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.215 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.612 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 31.9 mm-40 -67.22 -31.78 72.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 -177.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.508 HD11 ' HB1' ' B' ' 57' ' ' ALA . 2.9 tm? -69.71 -43.27 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.156 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.535 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.1 mm? -63.01 -41.25 99.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.801 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 42.1 mt-10 -67.5 -28.16 67.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.368 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.584 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -67.18 -44.41 79.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.198 -178.775 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.493 ' CG2' HG23 ' A' ' 56' ' ' THR . 38.9 pt -93.0 -7.04 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.867 -176.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.69 28.24 24.65 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.944 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.535 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.5 mm? -119.25 28.35 8.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 120.815 0.34 . . . . 0.0 110.554 177.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.494 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.9 pt-20 -59.6 -16.98 29.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.79 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.07 -22.35 66.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.181 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -115.02 7.55 15.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.882 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 7.2 m -54.85 -43.92 73.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 110.764 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.538 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 24.1 m -58.18 -42.14 85.44 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.723 178.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -56.27 -48.26 76.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.0 110.685 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.492 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -63.68 -52.42 60.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.234 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.433 ' CD1' HD12 ' B' ' 5' ' ' LEU . 6.0 mp -55.51 -41.51 73.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.153 -178.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.7 mt -69.56 -26.81 64.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.402 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -100.33 11.97 38.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.114 0.483 . . . . 0.0 111.406 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.53 -8.6 58.53 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.02 171.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.492 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 87.2 m-85 -83.84 73.45 10.31 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.157 0.504 . . . . 0.0 109.76 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -104.85 -9.63 17.89 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.226 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 74.1 p -128.04 160.09 33.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.286 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' B' ' 8' ' ' LEU . 67.9 mt -68.66 -27.62 66.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.368 0.604 . . . . 0.0 109.824 176.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.484 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 44.1 mt-10 -68.45 -28.15 66.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.883 178.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -90.02 -38.27 13.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.168 0.509 . . . . 0.0 110.055 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.538 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 66.0 t80 -65.11 -27.02 68.46 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.928 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 17.2 ptpt -67.72 -12.73 61.16 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.879 -0.513 . . . . 0.0 110.957 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -96.44 -4.24 42.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.582 0.706 . . . . 0.0 109.419 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.581 HD11 HD11 ' B' ' 40' ' ' LEU . 2.9 tm? -75.08 123.76 25.79 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.073 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -131.3 174.82 9.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.958 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.06 -45.72 91.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 -177.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 26.3 m -59.4 -27.43 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.332 0.587 . . . . 0.0 110.288 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.731 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 13.3 m170 -76.52 -34.47 58.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.83 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.581 HD11 HD11 ' B' ' 35' ' ' LEU . 6.7 mp -67.32 -31.98 72.63 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.777 176.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASN . . . . . 0.521 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 88.7 m-20 -60.03 -33.6 72.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.391 0.615 . . . . 0.0 109.63 173.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.52 -38.47 48.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.481 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 61.3 mt -76.81 -3.53 38.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.378 -177.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 9.4 t30 71.83 14.3 5.98 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 110.465 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.472 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 61.1 mt -82.31 77.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.675 0.75 . . . . 0.0 109.205 177.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.521 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 4.0 mmt -84.24 -3.1 57.98 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.276 -177.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.551 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 62.8 m-20 -58.4 106.81 0.76 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.809 175.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.63 -51.82 4.58 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.418 2.746 . . . . 0.0 114.139 -170.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.577 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 52.6 mt-30 -71.79 -34.26 69.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.079 0.466 . . . . 0.0 110.238 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.551 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 60.4 m170 -67.1 -39.66 86.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.737 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.552 ' O ' HD22 ' B' ' 55' ' ' LEU . 32.5 mtp180 -54.47 -55.2 31.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.73 170.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.508 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.72 -44.38 63.21 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.424 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 30.4 mtpt -68.12 -53.81 22.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.216 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 77.9 mt -53.23 -45.85 68.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.066 0.46 . . . . 0.0 111.242 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.658 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -64.77 -46.35 82.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.702 -178.665 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 53' ' ' LYS . 82.9 m -59.83 -39.93 86.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.042 0.449 . . . . 0.0 110.855 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.623 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.1 -48.43 81.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.053 176.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.58 92.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.277 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 16.2 mm-40 -56.25 -54.95 39.3 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.407 0.622 . . . . 0.0 110.126 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.6 mp -67.46 -40.13 85.35 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.783 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.46 HD11 ' HG ' ' B' ' 8' ' ' LEU . 94.8 mt -64.42 -21.76 66.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.865 0.364 . . . . 0.0 111.717 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.551 HD23 ' NH2' ' A' ' 11' ' ' ARG . 34.2 tp -74.4 -27.33 60.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.043 0.449 . . . . 0.0 110.486 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -105.28 -45.23 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.934 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.072 -174.628 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo . . . . . 0 N--CA 1.461 -0.392 0 CA-C-O 120.988 0.328 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -101.36 -14.78 17.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.067 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.477 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 24.3 p -131.37 173.8 10.71 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.524 -178.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.3 tm? -63.42 -51.47 65.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.961 -174.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -53.15 -42.08 65.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.405 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.477 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 28.4 mm-40 -68.9 -33.38 73.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.38 -176.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.442 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.9 tm? -69.49 -41.12 76.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.806 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.9 mm? -62.37 -40.95 98.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.834 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 46.9 mt-10 -66.92 -33.47 75.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.086 0.469 . . . . 0.0 110.406 176.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.552 HH22 HD23 ' B' ' 62' ' ' LEU . 0.1 OUTLIER -62.2 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.388 -179.028 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.512 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.6 pt -92.35 -12.48 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.786 -177.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.16 33.08 9.06 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.944 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.2 mm? -124.97 30.63 5.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.72 0.295 . . . . 0.0 110.599 177.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 10.6 pt-20 -59.55 -19.8 51.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.676 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.62 -21.38 62.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.299 175.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -117.07 9.8 13.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.86 -175.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.4 m -57.07 -48.39 78.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.758 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 19.0 m -60.67 -35.26 75.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.278 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 m -58.85 -49.18 78.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.116 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -60.0 -52.46 65.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.072 176.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' CD1' HD12 ' A' ' 5' ' ' LEU . 7.2 mp -54.64 -42.68 71.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.517 . . . . 0.0 112.058 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.8 mt -68.5 -25.88 65.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.948 0.404 . . . . 0.0 111.338 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.5 ' ND2' ' HG ' ' A' ' 43' ' ' LEU . 31.5 m-80 -99.72 12.36 36.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.238 0.542 . . . . 0.0 111.257 -178.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.5 -10.94 59.62 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.781 171.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 94.1 m-85 -83.85 72.86 10.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.191 0.519 . . . . 0.0 110.15 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -101.92 -6.45 23.48 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.119 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -131.77 160.46 35.49 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.165 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.18 -27.1 65.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.432 0.634 . . . . 0.0 109.301 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 25.7 tp10 -66.77 -31.54 72.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.692 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -87.03 -40.24 14.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.14 0.495 . . . . 0.0 109.806 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD1' HD21 ' A' ' 5' ' ' LEU . 55.5 t80 -63.4 -27.97 69.67 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.975 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 16.7 ptpt -66.95 -4.66 10.1 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.029 -0.419 . . . . 0.0 111.452 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -105.49 5.07 31.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.236 0.541 . . . . 0.0 110.285 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 3.4 tm? -72.11 126.04 28.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.492 -177.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.493 ' HD3' ' O ' ' A' ' 35' ' ' LEU . 20.6 mmt180 -128.26 169.71 13.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.424 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HB2' HD21 ' A' ' 55' ' ' LEU . 43.9 tt0 -60.96 -46.79 89.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.827 0.346 . . . . 0.0 110.777 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 12.0 m -57.15 -25.26 58.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.802 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -76.42 -42.66 43.4 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.367 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.566 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 2.1 mp -61.33 -30.35 70.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.037 177.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.5 m-20 -55.23 -38.48 68.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.003 171.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.59 -35.83 39.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.661 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.5 ' HG ' ' ND2' ' A' ' 24' ' ' ASN . 11.0 mp -76.54 -2.21 31.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.524 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.39 18.81 5.45 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.833 0.825 . . . . 0.0 110.072 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.566 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 57.7 mt -91.75 77.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.401 0.62 . . . . 0.0 109.422 177.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.4 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 2.0 mmt -82.7 -10.65 58.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.399 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.618 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 54.6 m-20 -51.71 105.95 0.59 Allowed Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.349 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.65 -49.25 10.68 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.578 2.852 . . . . 0.0 114.009 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.9 mt-30 -70.14 -36.92 75.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.128 0.49 . . . . 0.0 110.204 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 23.2 m170 -67.26 -40.01 86.15 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.481 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HA ' HD23 ' A' ' 40' ' ' LEU . 42.5 mtp180 -55.49 -52.58 63.19 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.027 171.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.521 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.01 -42.5 65.69 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.131 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' O ' HG21 ' B' ' 56' ' ' THR . 27.9 mtpt -68.71 -53.81 19.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.7 mt -54.99 -42.77 72.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.29 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.583 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -63.28 -48.27 78.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.477 179.316 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.539 HG21 ' O ' ' B' ' 53' ' ' LYS . 54.9 m -61.26 -40.94 95.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.021 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.646 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -58.97 -48.03 83.0 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.889 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.32 97.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 39.9 mm-40 -56.31 -55.36 34.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.313 0.578 . . . . 0.0 110.289 177.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.7 mp -66.05 -45.74 80.29 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.547 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.439 HD11 ' HG ' ' A' ' 8' ' ' LEU . 83.7 mt -59.69 -20.75 58.35 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.498 HD23 HH22 ' B' ' 11' ' ' ARG . 31.7 tp -74.98 -27.45 60.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.014 0.435 . . . . 0.0 110.795 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -110.02 -33.53 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.833 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.598 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.221 -173.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo . . . . . 0 N--CA 1.46 -0.447 0 CA-C-O 121.072 0.364 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -101.2 -14.72 17.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.056 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' THR . . . . . 0.465 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 24.0 p -131.54 173.59 10.96 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.515 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.486 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -63.28 -51.67 65.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.87 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -53.01 -41.95 65.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.487 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.465 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 28.6 mm-40 -69.09 -33.25 73.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.49 -176.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.454 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -69.44 -41.19 76.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.778 179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.9 mm? -62.37 -40.69 97.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.848 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.408 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 46.8 mt-10 -67.26 -33.2 74.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.379 . . . . 0.0 110.375 176.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.498 HH22 HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -62.3 -44.12 97.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.326 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.517 ' CG2' HG23 ' A' ' 56' ' ' THR . 39.8 pt -92.15 -12.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.614 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.88 33.29 9.13 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.936 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.524 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.2 mm? -124.86 30.25 5.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.774 0.321 . . . . 0.0 110.661 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.413 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 10.8 pt-20 -59.11 -19.99 49.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.739 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -60.19 -21.97 62.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.37 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -116.74 9.67 14.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.95 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 9.4 m -57.04 -48.27 78.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.03 0.443 . . . . 0.0 110.774 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 17.4 m -60.61 -35.47 76.23 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.245 177.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -58.79 -49.14 78.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 0.0 110.111 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -60.06 -52.46 65.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.055 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -54.6 -42.73 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.032 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 19' ' ' SER . 92.0 mt -68.62 -25.79 65.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.997 0.427 . . . . 0.0 111.269 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.508 ' ND2' ' HG ' ' B' ' 43' ' ' LEU . 33.0 m-80 -99.74 12.7 35.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.236 0.541 . . . . 0.0 111.102 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.07 -10.77 60.29 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.834 171.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.497 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 94.0 m-85 -83.92 72.9 10.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.194 0.521 . . . . 0.0 110.206 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -102.11 -6.07 23.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.033 -177.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.9 p -131.98 160.43 35.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.108 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.13 -27.29 65.44 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 26.5 tp10 -66.87 -31.3 71.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.586 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.98 -40.65 14.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.124 0.488 . . . . 0.0 109.846 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.437 ' CD1' HD21 ' B' ' 5' ' ' LEU . 55.3 t80 -63.11 -28.08 69.83 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.006 -177.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 16.7 ptpt -66.75 -4.63 9.5 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.022 -0.424 . . . . 0.0 111.465 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -105.48 4.99 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.2 0.524 . . . . 0.0 110.286 176.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.486 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 3.4 tm? -72.16 125.9 28.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.402 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' B' ' 35' ' ' LEU . 20.5 mmt180 -128.17 170.05 13.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 -178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.562 ' HB2' HD21 ' B' ' 55' ' ' LEU . 43.3 tt0 -61.43 -46.54 89.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.6 m -57.58 -25.03 59.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.725 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -76.32 -42.79 43.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.432 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.572 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 2.1 mp -61.21 -30.38 70.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.124 177.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.34 -38.27 68.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.013 171.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -79.99 -35.03 38.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' ND2' ' B' ' 24' ' ' ASN . 10.9 mp -77.17 -2.16 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.434 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.21 18.76 5.64 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.749 0.785 . . . . 0.0 110.233 178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.572 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 57.5 mt -91.62 77.49 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.452 177.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' B' ' 46' ' ' MET . 2.0 mmt -83.03 -10.79 58.57 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.236 -177.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 52.0 m-20 -51.33 105.9 0.58 Allowed Pre-proline 0 C--O 1.224 -0.246 0 O-C-N 124.222 0.951 . . . . 0.0 110.355 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 33.6 Cg_exo -59.52 -49.46 10.4 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.468 2.778 . . . . 0.0 114.088 -171.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.532 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.1 mt-30 -69.96 -36.84 75.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.07 0.462 . . . . 0.0 110.283 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.644 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 22.7 m170 -67.26 -40.05 86.17 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.49 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.491 ' HA ' HD23 ' B' ' 40' ' ' LEU . 42.3 mtp180 -55.51 -52.31 64.1 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.109 171.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.504 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.31 -42.58 66.81 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.159 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 56' ' ' THR . 28.1 mtpt -68.59 -53.73 20.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.128 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -55.04 -42.76 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.28 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.1 OUTLIER -63.4 -48.13 79.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.465 179.303 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.565 HG21 ' O ' ' A' ' 53' ' ' LYS . 55.2 m -61.27 -41.05 96.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.985 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -58.84 -48.03 82.78 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.893 176.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.21 96.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.346 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 39.3 mm-40 -56.41 -55.12 37.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.184 0.516 . . . . 0.0 110.346 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.7 mp -66.31 -45.62 79.71 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.587 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.454 HD11 ' HG ' ' B' ' 8' ' ' LEU . 84.7 mt -59.74 -20.58 57.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.552 HD23 HH22 ' A' ' 11' ' ' ARG . 31.7 tp -75.26 -27.25 59.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.773 0.32 . . . . 0.0 110.789 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -110.25 -33.66 6.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.13 0.49 . . . . 0.0 111.73 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.598 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.287 -173.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.432 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 22.2 Cg_exo . . . . . 0 CA--C 1.516 -0.4 0 CA-C-O 121.329 0.47 . . . . 0.0 113.161 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -99.8 -15.37 18.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.654 174.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.8 p -127.11 170.21 12.6 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.73 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.508 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.3 tm? -61.18 -53.44 56.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.611 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -56.36 -42.03 77.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -58.94 -42.46 89.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.798 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.8 tm? -67.61 -43.07 81.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.1 mm? -60.35 -41.46 93.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.98 -30.07 68.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -48.57 72.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.861 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' CG2' HG23 ' B' ' 56' ' ' THR . 36.8 pt -86.04 -15.39 10.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.653 -176.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.21 34.13 7.3 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.787 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.2 mm? -123.22 32.38 5.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.955 0.407 . . . . 0.0 110.508 176.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 10.9 pt-20 -60.05 -18.86 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.752 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.0 -23.5 65.45 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.986 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -114.05 9.05 17.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.941 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.476 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 12.9 m -56.31 -47.7 78.18 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 14.0 t -61.87 -35.35 78.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.175 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -57.17 -54.52 45.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.947 0.403 . . . . 0.0 110.269 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.5 mm? -61.93 -50.91 70.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.142 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.2 -45.48 72.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.067 -175.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 19' ' ' SER . 68.6 mt -74.63 -28.82 61.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.446 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -92.37 10.31 30.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.009 0.433 . . . . 0.0 111.547 -175.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.41 -12.37 47.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.051 171.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.497 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.4 m-85 -83.27 69.92 10.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.357 0.598 . . . . 0.0 109.479 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -98.44 -10.56 23.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.653 -174.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.8 p -130.46 159.18 37.82 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.338 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.75 -27.3 68.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.461 0.648 . . . . 0.0 109.361 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.29 -33.5 76.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.826 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.7 -36.03 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.196 0.522 . . . . 0.0 109.932 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.471 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 57.0 t80 -64.91 -28.5 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.729 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.22 -8.99 50.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.902 -0.499 . . . . 0.0 110.831 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -101.34 -1.26 33.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.498 0.666 . . . . 0.0 109.639 175.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 40' ' ' LEU . 2.0 tm? -73.74 115.53 13.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.028 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.454 HH22 HD22 ' A' ' 62' ' ' LEU . 30.3 mmt180 -122.69 162.12 22.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.256 -172.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.8 tt0 -53.97 -44.81 71.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.908 0.385 . . . . 0.0 111.577 -173.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 21.0 m -62.14 -26.22 68.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.291 0.567 . . . . 0.0 110.472 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.752 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 51.1 m170 -75.78 -36.8 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 35' ' ' LEU . 8.5 mp -61.88 -37.11 83.34 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.857 0.361 . . . . 0.0 110.1 174.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.8 m-20 -55.59 -40.89 72.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.958 172.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 38' ' ' THR . 39.3 mt-10 -70.87 -37.73 73.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.755 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 49.6 mt -80.21 -2.0 43.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.298 -177.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 t30 65.57 26.1 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.48 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -85.4 77.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.436 ' O ' ' HD3' ' A' ' 48' ' ' PRO . 5.0 mmt -95.37 28.53 2.86 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.44 -174.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 42.0 m-20 -92.7 98.8 2.4 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.283 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.47 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 72.3 Cg_exo -50.03 -54.97 4.58 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 123.386 2.724 . . . . 0.0 114.543 -167.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 48.4 mt-30 -68.31 -37.42 80.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.26 0.552 . . . . 0.0 110.389 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.545 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 25.6 m170 -66.26 -38.12 87.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.618 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.51 ' O ' HD22 ' A' ' 55' ' ' LEU . 48.7 mtp180 -55.02 -57.71 10.59 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.828 170.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.605 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.15 -40.75 61.84 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.473 -176.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.61 ' CG ' ' HB1' ' B' ' 52' ' ' ALA . 32.8 mtpt -64.83 -51.83 59.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.811 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.0 mt -54.19 -46.12 72.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.603 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.588 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -65.69 -41.24 92.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.26 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.572 HG21 ' O ' ' B' ' 53' ' ' LYS . 42.1 m -63.16 -39.37 94.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.153 0.502 . . . . 0.0 110.561 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.26 -47.75 84.67 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.938 175.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.28 79.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.173 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 6.2 mm-40 -60.51 -54.53 44.41 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.084 178.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.7 mp -71.67 -29.61 64.79 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.781 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.504 HD11 ' HG ' ' A' ' 8' ' ' LEU . 87.6 mt -69.44 -24.23 63.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.255 0.55 . . . . 0.0 110.49 175.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.454 HD22 HH22 ' A' ' 36' ' ' ARG . 52.2 tp -74.31 -43.67 55.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.587 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -91.14 -41.81 10.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' B' ' 2' ' ' PRO . 97.1 m-85 . . . . . 0 C--N 1.319 -0.734 0 CA-C-O 120.982 0.42 . . . . 0.0 110.765 -175.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.425 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 22.1 Cg_exo . . . . . 0 CA--C 1.516 -0.396 0 CA-C-O 121.32 0.467 . . . . 0.0 113.152 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -99.5 -15.72 18.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.662 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 44.3 p -126.95 170.26 12.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.802 -176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.494 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -61.33 -53.34 57.98 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.588 -177.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -56.38 -42.02 77.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -59.04 -42.38 90.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.722 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' B' ' 57' ' ' ALA . 2.8 tm? -67.48 -43.16 81.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.393 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.518 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -60.35 -41.62 94.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.737 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.401 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 47.3 mt-10 -68.85 -30.3 68.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.891 0.377 . . . . 0.0 110.779 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -48.77 72.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.864 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' A' ' 56' ' ' THR . 36.7 pt -85.74 -15.75 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.743 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.54 34.08 7.19 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.892 174.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.518 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.2 mm? -123.15 32.41 5.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.955 0.407 . . . . 0.0 110.507 176.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.481 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.1 pt-20 -60.08 -18.51 47.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.728 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.19 -23.45 65.6 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.054 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -114.24 9.05 16.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.875 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.481 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 12.0 m -56.27 -47.44 78.58 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.743 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.557 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 13.1 t -62.15 -35.02 77.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.211 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.1 m -57.71 -54.25 48.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.036 0.446 . . . . 0.0 110.272 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.5 mm? -61.76 -51.15 69.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.055 177.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.31 -45.09 72.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.095 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' B' ' 19' ' ' SER . 68.1 mt -74.99 -28.61 60.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.03 0.443 . . . . 0.0 111.531 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -92.87 11.38 27.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.633 -175.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.95 -13.09 49.59 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.999 171.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.507 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.4 m-85 -82.99 69.8 9.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.389 0.614 . . . . 0.0 109.586 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -98.31 -10.36 24.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.71 -174.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 74.5 p -130.48 159.21 37.75 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.369 -177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.83 -27.05 67.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.438 0.637 . . . . 0.0 109.335 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.27 -34.2 77.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.563 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.28 -35.92 16.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.218 0.533 . . . . 0.0 109.888 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.477 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 56.8 t80 -64.88 -28.41 69.52 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.797 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.22 -9.16 51.72 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.898 -0.501 . . . . 0.0 110.844 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -101.09 -1.61 33.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.549 0.69 . . . . 0.0 109.675 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.642 HD11 HD11 ' B' ' 40' ' ' LEU . 2.0 tm? -73.4 115.44 12.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.185 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.454 HH22 HD22 ' B' ' 62' ' ' LEU . 30.2 mmt180 -122.52 162.36 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.407 -172.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.415 ' N ' HD11 ' B' ' 55' ' ' LEU . 45.2 tt0 -54.19 -44.64 71.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.836 0.35 . . . . 0.0 111.62 -173.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' B' ' 41' ' ' ASN . 20.5 m -62.31 -26.25 68.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.319 0.581 . . . . 0.0 110.533 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.776 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 51.0 m170 -75.87 -36.41 59.57 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.642 HD11 HD11 ' B' ' 35' ' ' LEU . 8.6 mp -62.06 -37.01 83.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 120.862 0.363 . . . . 0.0 110.093 174.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' B' ' 38' ' ' THR . 7.0 m-20 -55.45 -41.31 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.006 172.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 38' ' ' THR . 39.1 mt-10 -70.64 -37.62 73.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.744 178.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 48.4 mt -80.16 -2.11 43.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.359 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 t30 65.4 26.74 11.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.726 0.774 . . . . 0.0 110.456 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.4 mt -86.1 77.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.444 ' O ' ' HD3' ' B' ' 48' ' ' PRO . 4.9 mmt -95.33 28.44 2.89 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.439 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.574 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 40.0 m-20 -92.39 98.69 2.23 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.28 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.468 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 73.4 Cg_exo -50.0 -55.0 4.55 Favored 'Trans proline' 0 N--CA 1.474 0.348 0 C-N-CA 123.474 2.783 . . . . 0.0 114.428 -167.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 48.1 mt-30 -68.38 -37.42 80.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.196 0.522 . . . . 0.0 110.378 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.574 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 25.4 m170 -66.29 -38.16 87.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.643 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.527 ' O ' HD22 ' B' ' 55' ' ' LEU . 48.5 mtp180 -54.86 -57.88 9.84 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.801 170.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.61 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.15 -40.64 61.68 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.461 -176.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.605 ' CG ' ' HB1' ' A' ' 52' ' ' ALA . 32.8 mtpt -64.9 -51.93 59.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.82 176.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 92.7 mt -54.11 -46.06 72.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.597 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.4 OUTLIER -65.7 -41.3 92.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.346 -179.611 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.559 HG21 ' O ' ' A' ' 53' ' ' LYS . 44.3 m -63.06 -39.29 94.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.511 . . . . 0.0 110.54 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.34 -47.74 84.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.941 175.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.23 79.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 6.0 mm-40 -60.66 -54.55 43.97 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.078 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.7 mp -71.49 -29.69 65.1 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.813 -177.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.518 HD11 ' HG ' ' B' ' 8' ' ' LEU . 86.8 mt -69.49 -24.23 63.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.147 0.499 . . . . 0.0 110.443 175.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.454 HD22 HH22 ' B' ' 36' ' ' ARG . 52.0 tp -74.29 -43.65 55.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.566 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -91.44 -41.33 10.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.432 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 97.2 m-85 . . . . . 0 C--N 1.321 -0.672 0 CA-C-O 120.976 0.417 . . . . 0.0 110.811 -175.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.485 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 19.5 Cg_exo . . . . . 0 N--CA 1.461 -0.384 0 CA-C-O 121.105 0.377 . . . . 0.0 112.062 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -106.33 -12.13 15.78 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -121.51 164.92 16.42 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.594 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.2 tm? -58.62 -53.53 57.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.94 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.513 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 12.6 t60 -55.34 -43.53 75.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.491 -177.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.26 -41.45 88.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.156 0.503 . . . . 0.0 110.902 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD21 HD11 ' B' ' 60' ' ' LEU . 2.6 tm? -67.68 -43.97 78.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.016 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.0 mm? -59.65 -40.35 87.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.575 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 49.8 mt-10 -63.26 -37.52 87.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.081 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -70.33 -43.95 69.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' B' ' 56' ' ' THR . 43.2 pt -81.72 -13.91 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.104 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.2 25.87 13.42 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.1 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.4 mm? -121.81 29.91 6.91 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.757 0.313 . . . . 0.0 110.755 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 9.7 pt-20 -60.0 -21.5 61.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.678 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.81 -23.05 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.127 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -109.17 3.82 22.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.721 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 24.7 m -52.78 -47.89 67.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.907 0.384 . . . . 0.0 111.091 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.573 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.5 m -60.07 -39.94 87.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.628 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 32.7 m -56.38 -49.53 74.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 0.0 110.552 177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.1 mm? -61.69 -54.19 46.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.986 176.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 27' ' ' GLN . 20.7 tp -51.06 -49.49 60.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.749 -177.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 19' ' ' SER . 97.5 mt -65.16 -35.14 80.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -91.22 14.46 14.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.107 0.479 . . . . 0.0 111.588 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -7.73 50.59 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.112 170.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 94.5 m-85 -87.44 75.6 9.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.534 0.683 . . . . 0.0 109.615 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.467 ' HA ' HD12 ' A' ' 22' ' ' LEU . 40.8 mt-30 -97.94 -18.55 18.59 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.671 -173.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 p -129.14 168.93 15.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.728 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.16 -25.07 65.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 0.0 109.603 174.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 43.2 mt-10 -71.3 -25.22 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.542 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 47.8 m-20 -83.42 -46.27 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.36 0.6 . . . . 0.0 109.638 173.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.17 -25.31 68.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.986 -173.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 18.4 ptpt -66.86 -9.83 41.81 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.027 -0.421 . . . . 0.0 111.691 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -108.64 8.02 26.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.346 0.593 . . . . 0.0 110.269 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.577 HD11 HD11 ' A' ' 40' ' ' LEU . 3.2 tm? -71.22 125.88 28.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.697 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.486 ' C ' HD11 ' A' ' 55' ' ' LEU . 35.6 mmt180 -124.59 165.76 17.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -177.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.527 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.4 tt0 -64.8 -37.49 87.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.953 0.406 . . . . 0.0 110.153 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.0 m -58.17 -31.09 66.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.948 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.777 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 25.5 m170 -75.96 -35.8 59.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.185 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.597 HD12 HD12 ' A' ' 43' ' ' LEU . 4.5 mp -64.09 -32.91 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.816 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -57.81 -41.98 83.31 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.72 -35.56 70.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.71 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.777 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 47.3 mt -79.78 -2.05 41.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.044 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.5 t30 67.64 21.25 9.42 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.609 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.447 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 60.6 mt -87.82 75.85 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.577 0.704 . . . . 0.0 109.203 177.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.8 mmt -82.31 -9.13 59.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.793 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.588 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 39.1 m-20 -50.58 105.63 0.54 Allowed Pre-proline 0 C--O 1.223 -0.295 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.353 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 32.7 Cg_exo -60.96 -50.67 5.84 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.26 2.64 . . . . 0.0 114.097 -171.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 53.2 mt-30 -71.25 -36.13 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 59.1 m170 -66.19 -41.53 90.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.798 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HG2' HD23 ' A' ' 40' ' ' LEU . 51.1 mtp180 -53.61 -54.79 32.55 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.695 170.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.13 -43.23 61.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.399 -177.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 26.4 mtpt -68.54 -50.74 49.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.93 178.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 91.6 mt -54.83 -46.04 74.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.841 -177.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.527 HD11 ' N ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -67.09 -35.68 80.32 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.451 -179.018 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.527 HG21 ' O ' ' B' ' 53' ' ' LYS . 36.0 m -67.88 -41.01 83.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.164 0.506 . . . . 0.0 110.138 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.593 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.09 -45.78 93.3 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.048 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.72 92.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.981 177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -57.28 -55.29 36.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.29 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' B' ' 57' ' ' ALA . 11.3 mp -72.61 -26.88 61.85 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.742 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.45 ' O ' ' HE2' ' A' ' 33' ' ' LYS . 72.0 mt -73.94 -24.02 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.805 -0.559 . . . . 0.0 110.824 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 33' ' ' LYS . 45.7 tp -76.14 -33.69 59.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.788 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.401 ' OD2' ' HD2' ' B' ' 2' ' ' PRO . 35.1 t70 -103.72 -44.16 5.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.092 0.472 . . . . 0.0 112.019 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.689 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 86.6 m-85 . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.06 -173.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.497 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 19.8 Cg_exo . . . . . 0 N--CA 1.46 -0.446 0 CA-C-O 121.025 0.344 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -106.05 -12.05 15.92 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.7 p -121.58 164.95 16.42 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.6 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.51 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.2 tm? -58.77 -53.48 57.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.858 -176.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.52 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 13.9 t60 -55.14 -43.57 74.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.607 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.58 -40.85 88.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.08 0.467 . . . . 0.0 110.957 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.45 HD21 HD11 ' A' ' 60' ' ' LEU . 2.6 tm? -68.11 -43.91 77.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.932 -178.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 5' ' ' LEU . 4.0 mm? -59.75 -40.41 88.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.611 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 49.7 mt-10 -63.39 -37.36 86.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.009 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -70.32 -44.26 68.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.018 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 56' ' ' THR . 43.0 pt -81.53 -13.73 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.152 -177.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.91 25.97 13.69 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.105 173.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.428 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.4 mm? -121.71 29.71 7.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.714 0.293 . . . . 0.0 110.775 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.43 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 9.9 pt-20 -59.97 -21.26 61.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.748 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.99 -23.02 67.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.15 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -109.14 3.9 22.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.626 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.43 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 24.9 m -53.02 -47.59 68.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.809 0.338 . . . . 0.0 111.042 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 10.8 m -60.54 -39.88 89.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.555 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 35.7 m -56.19 -49.61 73.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.597 177.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.1 mm? -61.66 -54.06 47.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.999 176.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' B' ' 27' ' ' GLN . 21.1 tp -51.15 -49.34 61.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.74 -177.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 19' ' ' SER . 98.2 mt -65.33 -35.27 80.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.381 -177.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -91.04 14.46 13.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.633 -175.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.83 -7.84 49.79 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.619 -0.801 . . . . 0.0 113.024 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 94.7 m-85 -87.35 75.68 9.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.594 0.712 . . . . 0.0 109.609 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' B' ' 22' ' ' LEU . 41.0 mt-30 -97.88 -18.85 18.46 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.536 -173.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 62.3 p -128.91 169.17 14.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.65 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.27 -25.05 65.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.404 0.621 . . . . 0.0 109.614 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.447 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 43.4 mt-10 -71.38 -24.94 62.17 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.527 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.463 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 50.1 m-20 -83.62 -46.32 12.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.31 0.576 . . . . 0.0 109.582 173.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -64.11 -25.23 68.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.177 -0.92 . . . . 0.0 112.078 -173.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 18.4 ptpt -67.02 -9.67 41.51 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.07 -0.394 . . . . 0.0 111.666 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -108.81 8.27 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.462 0.649 . . . . 0.0 110.278 176.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.551 HD11 HD11 ' B' ' 40' ' ' LEU . 3.2 tm? -71.3 126.05 28.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.616 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.488 ' C ' HD11 ' B' ' 55' ' ' LEU . 35.6 mmt180 -124.73 165.73 17.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.998 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.517 ' N ' HD11 ' B' ' 55' ' ' LEU . 44.2 tt0 -65.08 -37.3 87.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.997 0.427 . . . . 0.0 110.065 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 14.5 m -58.05 -31.25 66.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.986 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.754 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 26.5 m170 -75.97 -35.91 59.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.126 -179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.581 HD12 HD12 ' B' ' 43' ' ' LEU . 4.4 mp -63.93 -32.92 74.62 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.779 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.01 -41.73 83.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 172.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.01 -35.08 69.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.851 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 47.3 mt -80.22 -1.86 42.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.948 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 3.5 t30 67.84 20.98 9.22 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.52 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.449 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 61.1 mt -87.93 76.01 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 177.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 2.8 mmt -82.32 -9.42 59.48 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.865 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.597 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 34.0 m-20 -50.29 105.66 0.54 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.452 176.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.9 -50.91 5.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.373 2.716 . . . . 0.0 113.996 -171.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 53.6 mt-30 -71.41 -35.86 71.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.51 . . . . 0.0 110.037 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.597 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 59.0 m170 -66.28 -41.83 89.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.705 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.54 ' HG2' HD23 ' B' ' 40' ' ' LEU . 51.0 mtp180 -53.35 -54.76 31.96 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.731 170.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.527 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.02 -43.46 60.88 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.506 -177.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 26.3 mtpt -68.44 -50.7 50.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.914 178.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.3 mt -54.76 -46.14 74.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.924 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.517 HD11 ' N ' ' B' ' 37' ' ' GLU . 0.5 OUTLIER -67.1 -35.62 80.17 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.446 -179.099 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 53' ' ' LYS . 36.3 m -67.78 -41.17 83.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.18 0.515 . . . . 0.0 110.131 178.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.579 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.96 -45.87 93.02 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.016 176.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.65 93.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.921 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.43 -55.09 39.32 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.32 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.593 HD22 ' HA ' ' A' ' 57' ' ' ALA . 11.3 mp -72.55 -27.01 61.95 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.792 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.46 ' O ' ' HE2' ' B' ' 33' ' ' LYS . 71.4 mt -73.85 -24.04 59.7 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.795 -0.566 . . . . 0.0 110.853 175.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.401 ' HA ' ' HB2' ' B' ' 33' ' ' LYS . 46.4 tp -76.22 -33.36 59.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.706 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -104.09 -44.24 5.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.242 0.544 . . . . 0.0 112.068 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.689 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 87.0 m-85 . . . . . 0 C--N 1.318 -0.799 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.003 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.491 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 15.7 Cg_exo . . . . . 0 N--CA 1.46 -0.494 0 CA-C-O 121.148 0.395 . . . . 0.0 112.037 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -87.14 -18.72 29.77 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.713 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 p -123.81 165.02 18.04 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.824 -177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.3 tm? -60.02 -47.26 86.57 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.857 -176.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -52.2 -41.44 62.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.039 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.6 -32.21 67.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.641 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.531 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.8 tm? -70.04 -38.1 75.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.537 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -61.66 -36.64 81.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.09 -32.0 71.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.929 0.395 . . . . 0.0 110.39 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -38.78 92.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.973 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.557 ' CG2' HG23 ' B' ' 56' ' ' THR . 38.0 pt -98.06 -12.96 8.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.899 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.33 31.93 11.1 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.71 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.3 mm? -122.67 31.45 6.08 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 120.814 0.34 . . . . 0.0 110.757 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.533 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 15.1 pt-20 -61.02 -17.05 50.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.511 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.4 -22.91 65.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.962 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -117.52 11.69 13.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.652 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 26.4 m -54.97 -47.76 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.777 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.4 p -61.66 -36.8 81.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.626 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.415 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 24.4 m -57.05 -53.07 62.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.298 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -63.02 -52.39 63.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.185 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 27' ' ' GLN . 18.8 tp -53.34 -47.39 69.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.844 -175.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.9 mt -71.72 -29.41 64.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.675 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -89.78 9.74 26.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.993 0.425 . . . . 0.0 111.564 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.36 -7.27 39.88 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.066 171.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 85.0 m-85 -87.18 80.32 8.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.348 0.594 . . . . 0.0 109.722 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.408 ' HA ' HD12 ' A' ' 22' ' ' LEU . 69.5 mt-30 -104.0 -22.35 13.47 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.03 -173.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -122.62 168.29 12.36 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.403 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.91 -28.51 68.99 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.433 0.635 . . . . 0.0 109.665 176.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.7 -26.36 64.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.892 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -80.62 -47.75 13.65 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.539 ' CD2' HD21 ' A' ' 5' ' ' LEU . 48.6 t80 -63.18 -27.51 69.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.024 -173.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -66.71 -8.71 29.85 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.992 -0.443 . . . . 0.0 111.446 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -106.04 5.12 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.349 0.595 . . . . 0.0 110.16 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD11 HD11 ' A' ' 40' ' ' LEU . 2.2 tm? -74.78 115.75 14.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.023 177.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -119.56 166.17 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 -174.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.715 ' N ' HD11 ' A' ' 55' ' ' LEU . 34.4 tt0 -61.25 -40.63 94.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.885 0.374 . . . . 0.0 111.071 -173.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.6 m -59.55 -26.94 65.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.473 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.747 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.0 m170 -76.93 -34.93 57.63 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.76 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.703 HD11 HD11 ' A' ' 35' ' ' LEU . 8.7 mp -63.59 -31.61 72.83 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.603 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.682 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 95.5 m-20 -61.76 -34.0 75.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.895 174.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -77.89 -37.05 48.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.317 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 50.8 mt -76.36 -8.34 56.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.13 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 t30 68.77 24.66 6.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.378 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -84.89 81.97 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.358 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.682 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 32.1 mmt -93.75 11.31 29.59 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.236 -174.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.551 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 38.6 m-20 -77.09 101.86 0.71 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.792 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.44 -56.36 2.95 Favored 'Trans proline' 0 N--CA 1.474 0.369 0 C-N-CA 123.277 2.651 . . . . 0.0 114.242 -166.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.4 mt-30 -68.8 -33.06 73.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.233 0.539 . . . . 0.0 110.297 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 24.9 m170 -68.58 -36.53 78.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.861 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 47' ' ' ASP . 48.2 mtp180 -57.66 -53.0 63.14 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.565 171.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.553 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.92 -41.6 67.85 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.465 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.618 ' O ' HG21 ' B' ' 56' ' ' THR . 28.8 mtpt -65.37 -51.7 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.727 177.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.4 mt -53.97 -46.26 71.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.491 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.715 HD11 ' N ' ' A' ' 37' ' ' GLU . 2.8 mm? -61.11 -45.22 95.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.315 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.621 HG21 ' O ' ' B' ' 53' ' ' LYS . 42.2 m -61.73 -40.82 96.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -178.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.598 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.09 -44.03 95.08 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.014 176.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.35 95.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 6.5 mm-40 -57.31 -48.36 79.13 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.634 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.597 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.8 mp -71.62 -48.86 45.16 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.654 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.531 HD11 ' HG ' ' A' ' 8' ' ' LEU . 85.0 mt -56.82 -28.22 61.18 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.861 0.363 . . . . 0.0 111.566 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.6 -35.92 77.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.701 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -108.41 -33.14 7.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.33 0.586 . . . . 0.0 111.575 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.497 ' OH ' ' HB2' ' B' ' 2' ' ' PRO . 97.5 m-85 . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.143 -171.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.497 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 15.5 Cg_exo . . . . . 0 N--CA 1.459 -0.536 0 CA-C-O 121.08 0.367 . . . . 0.0 111.886 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -87.43 -18.78 29.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.789 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.8 p -124.0 165.0 18.2 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.812 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.3 tm? -60.41 -46.97 88.08 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.838 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.405 ' CG ' HG21 ' B' ' 18' ' ' THR . 3.0 t-80 -52.45 -41.17 63.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.99 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.71 -32.49 67.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.545 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.538 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.8 tm? -69.72 -38.19 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.464 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.527 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -61.61 -36.63 81.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.15 -32.0 71.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.971 0.415 . . . . 0.0 110.485 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.76 92.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.552 ' CG2' HG23 ' A' ' 56' ' ' THR . 37.8 pt -98.01 -13.11 8.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.878 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.39 31.8 11.21 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.73 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.527 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.3 mm? -122.8 31.57 6.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.889 0.376 . . . . 0.0 110.691 178.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.526 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 15.2 pt-20 -60.83 -16.94 46.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.49 177.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.13 -22.18 65.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.11 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -117.9 11.56 13.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.584 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.526 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 26.2 m -54.88 -47.53 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.788 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 20.0 p -61.97 -36.54 81.75 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.629 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 24.1 m -57.16 -53.19 60.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.336 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -63.01 -52.19 63.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.228 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 tp -53.55 -47.29 70.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.784 -175.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 19' ' ' SER . 91.6 mt -71.78 -29.71 64.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.595 -177.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -89.49 9.68 25.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.97 0.414 . . . . 0.0 111.507 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.43 -6.96 39.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.077 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 85.2 m-85 -87.39 80.42 8.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.344 0.592 . . . . 0.0 109.706 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -103.99 -22.65 13.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.029 -173.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -122.41 167.85 12.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.393 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.54 -28.57 69.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.459 0.647 . . . . 0.0 109.693 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.69 -26.34 64.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.89 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 44.7 m-20 -80.68 -47.99 13.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.356 0.598 . . . . 0.0 109.569 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' PHE . . . . . 0.545 ' CD2' HD21 ' B' ' 5' ' ' LEU . 48.2 t80 -62.9 -27.42 69.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.021 -173.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.86 -9.04 33.45 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.359 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -105.72 5.26 30.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.431 0.634 . . . . 0.0 110.283 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 40' ' ' LEU . 2.2 tm? -74.98 116.05 15.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.955 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -119.85 166.16 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.02 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.714 ' N ' HD11 ' B' ' 55' ' ' LEU . 34.1 tt0 -61.23 -40.75 95.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.909 0.385 . . . . 0.0 111.108 -173.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 51.2 m -59.51 -26.65 65.48 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.464 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.737 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 23.1 m170 -77.22 -35.09 55.85 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.693 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 35' ' ' LEU . 8.7 mp -63.43 -31.59 72.79 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.812 0.339 . . . . 0.0 110.69 177.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ASN . . . . . 0.712 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 95.5 m-20 -61.85 -33.99 75.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.832 174.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -77.98 -36.98 48.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.251 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 49.3 mt -76.46 -8.19 56.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.226 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 t30 68.68 24.74 6.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.373 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.6 mt -85.06 82.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.251 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.712 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 31.9 mmt -93.66 10.95 30.69 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.166 -174.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 35.1 m-20 -76.55 101.62 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.807 176.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.31 -56.15 3.16 Favored 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 123.252 2.635 . . . . 0.0 114.293 -166.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.55 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 52.4 mt-30 -69.27 -32.8 72.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.268 0.556 . . . . 0.0 110.214 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.532 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 24.9 m170 -68.59 -36.72 79.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.823 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' B' ' 47' ' ' ASP . 49.3 mtp180 -57.51 -52.99 63.13 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.624 171.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.56 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -54.0 -41.68 68.23 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.348 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.621 ' O ' HG21 ' A' ' 56' ' ' THR . 28.8 mtpt -65.29 -51.68 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.789 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -54.03 -46.17 71.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.513 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.714 HD11 ' N ' ' B' ' 37' ' ' GLU . 2.8 mm? -61.19 -45.21 95.55 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.202 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.618 HG21 ' O ' ' A' ' 53' ' ' LYS . 41.6 m -61.8 -40.79 96.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.597 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.18 -44.01 95.4 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.004 176.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.6 95.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 6.3 mm-40 -56.93 -48.65 77.78 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.542 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.8 mp -71.44 -48.99 46.01 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.635 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.538 HD11 ' HG ' ' B' ' 8' ' ' LEU . 84.2 mt -56.86 -28.11 61.28 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.53 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.77 -35.81 77.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.71 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -108.28 -33.3 7.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.603 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' TYR . . . . . 0.491 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 97.5 m-85 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.152 -171.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo . . . . . 0 N--CA 1.458 -0.588 0 CA-C-O 120.98 0.325 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -108.56 -10.0 15.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.9 p -130.53 169.07 16.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.353 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.458 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.4 tm? -60.85 -51.19 70.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -176.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.47 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 42.4 t60 -54.82 -44.7 74.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.473 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.52 -36.41 82.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.48 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -66.28 -44.28 84.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.007 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -60.84 -39.56 89.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.501 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 48.4 mt-10 -65.55 -37.57 87.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.042 0.448 . . . . 0.0 110.486 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -41.37 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.34 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.491 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.4 pt -92.68 -15.58 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.906 -177.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.97 24.41 15.2 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.905 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.4 mm? -119.28 30.27 7.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.974 0.416 . . . . 0.0 110.113 177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 9' ' ' LEU . 11.3 pt-20 -57.35 -21.26 34.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.771 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.39 -21.05 65.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.512 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -115.86 14.41 16.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.86 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.8 m -55.79 -45.91 78.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.183 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 22.0 t -64.27 -35.82 82.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.26 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 m -57.51 -52.27 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.211 0.529 . . . . 0.0 110.072 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.4 mm? -63.71 -49.87 71.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.97 177.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.32 -48.94 65.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.69 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 19' ' ' SER . 88.9 mt -67.43 -31.48 71.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.387 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -92.25 13.71 18.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.045 0.45 . . . . 0.0 111.524 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.34 -12.56 58.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.74 171.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.527 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 91.0 m-85 -82.78 70.82 9.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 109.651 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -100.45 -7.87 23.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.507 -174.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.5 p -132.4 162.88 29.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.168 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.52 -28.78 67.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.372 0.606 . . . . 0.0 109.49 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.539 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 1.4 mp0 -68.23 -28.86 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.204 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -89.33 -39.95 13.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 109.943 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.9 -29.47 70.64 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.7 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 15.0 ptpt -65.78 -5.33 8.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.166 -0.333 . . . . 0.0 111.482 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -106.67 6.02 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 109.871 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -74.63 126.66 31.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.222 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' A' ' 35' ' ' LEU . 21.6 mmt180 -128.75 171.4 12.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.543 ' HB2' HD21 ' A' ' 55' ' ' LEU . 43.6 tt0 -60.85 -43.17 98.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.789 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -56.68 -28.92 61.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.474 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.745 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 46.7 m170 -79.03 -29.78 43.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.845 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.629 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 7.2 mp -71.07 -26.64 63.16 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 176.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.729 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 82.2 m-20 -60.1 -35.68 75.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -77.35 -34.14 55.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.547 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 45.2 mt -80.58 -6.46 58.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.112 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 67.74 31.05 6.11 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.559 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -101.31 82.65 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.771 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.729 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 31.3 mmt -86.07 -10.47 54.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.118 -177.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 20.0 m-20 -60.61 110.62 3.07 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.463 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 37.1 Cg_exo -56.85 -49.26 15.06 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.059 3.173 . . . . 0.0 114.129 -170.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.652 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 46.6 mt-30 -68.09 -38.8 82.74 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 19.6 m170 -64.34 -40.86 96.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.629 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 46.0 mtp180 -57.12 -56.91 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.59 172.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' B' ' 52' ' ' ALA . . . -54.55 -41.14 69.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.54 -176.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.652 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 26.2 mtpt -67.84 -53.29 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.227 -0.189 . . . . 0.0 111.013 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.452 HD12 HD21 ' A' ' 40' ' ' LEU . 86.1 mt -55.18 -43.89 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.165 0.507 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -64.18 -49.62 71.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.726 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.555 HG21 ' O ' ' B' ' 53' ' ' LYS . 58.7 m -61.72 -39.14 90.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.133 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.611 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -59.17 -48.69 80.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.809 176.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.64 91.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.299 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 24.3 mm-40 -58.67 -54.58 45.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.376 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD22 ' HA ' ' B' ' 57' ' ' ALA . 6.8 mp -65.31 -44.63 87.25 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.731 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD11 ' HG ' ' A' ' 8' ' ' LEU . 91.2 mt -61.09 -21.94 64.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.896 0.379 . . . . 0.0 111.732 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.15 -30.62 68.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.303 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -107.52 -37.28 6.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.789 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.379 -174.173 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 N--CA 1.458 -0.567 0 CA-C-O 121.013 0.339 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -108.61 -10.16 15.24 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 23.5 p -130.31 169.19 15.77 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.354 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -60.77 -51.21 70.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.988 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.469 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 43.2 t60 -54.93 -44.6 74.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.392 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.43 -36.56 82.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.666 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.528 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -66.28 -44.19 84.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.986 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -60.97 -39.52 89.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.477 177.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 48.6 mt-10 -65.55 -37.59 87.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.539 176.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.27 97.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.307 -177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' A' ' 56' ' ' THR . 39.7 pt -92.86 -15.55 8.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.912 -177.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.11 24.18 15.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.009 175.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.476 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.4 mm? -119.09 30.35 7.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.917 0.389 . . . . 0.0 110.158 177.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.449 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 11.3 pt-20 -57.34 -21.67 36.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.891 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.97 -21.33 64.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.422 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -115.61 14.31 16.48 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.919 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.4 m -55.63 -46.12 77.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.05 0.453 . . . . 0.0 110.196 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.573 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 22.5 t -64.21 -35.75 81.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.248 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -57.59 -52.3 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.107 0.479 . . . . 0.0 110.109 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.4 mm? -63.48 -50.04 71.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.969 177.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.3 -48.89 65.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.732 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.5 mt -67.44 -31.41 71.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.442 -177.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -92.26 12.96 20.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.0 0.428 . . . . 0.0 111.561 -175.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.24 57.72 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.832 171.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.534 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 91.4 m-85 -83.11 70.74 10.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.389 0.614 . . . . 0.0 109.6 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -100.25 -8.02 23.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.447 -174.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 70.5 p -132.5 162.89 30.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.961 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.47 -29.02 67.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.326 0.584 . . . . 0.0 109.449 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.545 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 1.3 mp0 -68.22 -28.69 67.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.314 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -89.34 -40.17 12.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.077 0.465 . . . . 0.0 109.935 176.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -63.62 -29.7 70.91 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.714 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.545 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 15.0 ptpt -65.62 -5.48 8.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.144 -0.348 . . . . 0.0 111.376 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -106.54 5.79 29.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.578 0.704 . . . . 0.0 109.89 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.597 HD11 HD11 ' B' ' 40' ' ' LEU . 3.3 tm? -74.28 126.87 31.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.257 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.525 ' HD3' ' O ' ' B' ' 35' ' ' LEU . 21.5 mmt180 -129.15 171.08 12.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.638 -177.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.569 ' HB2' HD21 ' B' ' 55' ' ' LEU . 43.1 tt0 -60.54 -43.26 97.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.972 0.415 . . . . 0.0 110.773 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m -56.48 -28.89 60.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.649 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' HIS . . . . . 0.744 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 47.4 m170 -78.85 -30.15 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.854 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.633 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 7.3 mp -70.91 -26.76 63.35 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 176.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ASN . . . . . 0.716 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 82.0 m-20 -59.91 -35.42 74.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.636 0.731 . . . . 0.0 109.071 171.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.08 -33.5 50.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.496 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 46.3 mt -80.97 -6.6 58.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.062 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.03 31.05 5.69 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.365 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.8 mt -101.17 82.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.851 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' MET . . . . . 0.716 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 31.4 mmt -86.13 -10.2 55.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.074 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 19.0 m-20 -60.85 110.58 3.08 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.345 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 36.6 Cg_exo -56.7 -49.24 15.28 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.96 3.107 . . . . 0.0 114.216 -170.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.656 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 46.5 mt-30 -68.16 -38.64 82.34 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.083 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 19.7 m170 -64.53 -40.71 96.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.633 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 46.3 mtp180 -57.19 -56.82 16.81 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.562 172.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . . . -54.62 -41.16 69.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.51 -176.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 26.3 mtpt -67.94 -53.11 28.75 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.256 -0.178 . . . . 0.0 110.988 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LEU . . . . . 0.471 HD12 HD21 ' B' ' 40' ' ' LEU . 86.0 mt -55.4 -43.76 75.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.604 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.2 OUTLIER -64.24 -49.58 71.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.851 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.571 HG21 ' O ' ' A' ' 53' ' ' LYS . 59.1 m -61.68 -39.07 90.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.002 0.43 . . . . 0.0 111.139 -178.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.18 -48.7 80.64 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.782 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.39 90.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.265 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 23.5 mm-40 -58.77 -54.55 45.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.434 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.611 HD22 ' HA ' ' A' ' 57' ' ' ALA . 6.7 mp -65.43 -44.52 87.06 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.698 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.528 HD11 ' HG ' ' B' ' 8' ' ' LEU . 91.5 mt -61.18 -21.78 64.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.839 0.352 . . . . 0.0 111.685 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 35.2 tp -69.16 -30.82 69.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.201 0.524 . . . . 0.0 110.285 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -107.33 -37.54 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.755 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.349 -174.037 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 112.426 -0.269 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -70.38 136.83 32.27 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.735 2.29 . . . . 0.0 111.608 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.36 -12.55 12.38 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 p -126.53 167.79 15.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.626 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.77 -52.01 67.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.321 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.524 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 11.4 t-80 -51.49 -46.49 63.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.681 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.53 -33.87 76.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.986 0.422 . . . . 0.0 110.998 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.689 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.8 tm? -68.33 -42.0 79.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.104 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.5 mm? -62.18 -38.42 89.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.281 176.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 45.0 mt-10 -64.94 -33.33 75.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.221 0.534 . . . . 0.0 110.464 176.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.596 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -66.43 -42.27 87.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.467 -176.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.527 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.0 pt -94.51 -9.13 9.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.023 -175.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.18 22.21 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.7 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.7 mm? -121.2 29.69 7.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.694 0.283 . . . . 0.0 110.564 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.4 pt-20 -63.51 -14.18 48.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.008 0.432 . . . . 0.0 110.492 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.55 -23.29 66.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.573 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -114.25 9.5 17.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.739 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 24.1 m -54.89 -46.12 74.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 110.405 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.591 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.0 m -62.81 -38.68 91.64 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.189 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -57.05 -51.53 68.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.059 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.8 mm? -59.73 -52.88 63.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.028 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 tp -53.57 -47.91 69.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.489 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 19' ' ' SER . 95.5 mt -67.88 -28.23 67.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.342 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.426 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 30.6 m-80 -93.21 12.39 24.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -178.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.68 1.54 57.55 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.025 171.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.502 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 99.1 m-85 -92.94 85.39 5.13 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.326 0.584 . . . . 0.0 109.599 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.73 -17.84 14.26 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.593 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.8 p -127.58 167.67 16.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.738 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.71 -27.49 67.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 43.5 mt-10 -69.45 -27.73 65.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.651 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -81.11 -45.89 15.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.302 0.572 . . . . 0.0 109.766 174.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.523 ' HD1' HD12 ' A' ' 61' ' ' LEU . 43.0 t80 -65.46 -29.94 70.67 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.743 -174.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.8 ptpt -65.43 -9.98 30.02 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.115 -0.366 . . . . 0.0 111.08 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -100.02 -4.5 29.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.135 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.5 tm? -67.53 126.62 29.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.303 -177.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 36' ' ' ARG . 30.9 mmt180 -126.11 169.86 12.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.297 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.58 -41.28 96.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.186 0.517 . . . . 0.0 109.994 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 7.9 m -58.57 -25.24 62.32 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.297 177.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.406 ' O ' HD13 ' A' ' 43' ' ' LEU . 34.9 m170 -79.07 -40.7 30.55 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.486 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -59.6 -31.82 69.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.723 175.519 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 38' ' ' THR . 7.4 m-20 -56.49 -41.84 77.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.203 171.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.03 -41.06 62.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.794 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' CG ' ' A' ' 24' ' ' ASN . 10.8 mp -73.68 -5.7 42.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.11 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.48 29.92 10.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.391 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.539 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 65.6 mt -93.32 79.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.792 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.9 mmt -88.32 1.54 54.39 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.352 -176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.619 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 71.2 m-20 -59.05 102.78 0.32 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.446 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 41.2 Cg_exo -54.48 -56.45 2.48 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.897 2.398 . . . . 0.0 114.226 -165.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 43.3 mt-30 -72.57 -32.14 65.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.912 0.387 . . . . 0.0 110.707 -178.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.619 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 51.3 m170 -64.82 -41.31 95.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.593 ' O ' HD22 ' A' ' 55' ' ' LEU . 39.4 mtp180 -53.54 -56.36 17.75 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.98 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.468 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.6 -42.33 61.88 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.25 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.601 ' O ' HG21 ' B' ' 56' ' ' THR . 31.0 mtpt -65.73 -52.72 48.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -53.87 -45.69 71.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.439 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.654 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.45 -47.03 83.56 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.987 -179.421 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.589 HG21 ' O ' ' B' ' 53' ' ' LYS . 45.1 m -61.24 -40.86 95.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.112 0.482 . . . . 0.0 110.972 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.643 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -59.62 -45.81 90.85 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.973 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.26 94.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.248 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 8.6 mm-40 -58.3 -53.02 62.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.356 0.598 . . . . 0.0 110.215 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.644 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.3 mp -69.67 -38.76 77.17 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.974 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.689 HD11 ' HG ' ' A' ' 8' ' ' LEU . 56.4 mt -63.35 -23.99 67.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 118.267 0.485 . . . . 0.0 111.375 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.572 HD23 ' NH2' ' B' ' 11' ' ' ARG . 30.2 tp -72.66 -28.3 62.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.731 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -110.45 -37.67 5.43 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.01 44.79 1.0 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.314 -174.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -82.12 41.99 0.71 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.184 0.516 . . . . 0.0 110.955 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p 49.63 38.09 14.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.337 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.19 32.78 4.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.131 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.4 m 64.34 169.97 0.18 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.175 0.59 . . . . 0.0 111.74 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.657 -0.687 . . . . 0.0 111.574 -174.865 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 112.389 -0.285 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -70.65 136.62 31.06 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.705 2.27 . . . . 0.0 111.691 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.27 -12.2 12.48 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 33.5 p -126.88 167.66 15.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.599 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.45 -52.0 67.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.515 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.525 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 11.3 t-80 -51.62 -46.36 63.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.693 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -64.53 -33.97 77.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.0 0.429 . . . . 0.0 110.954 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.723 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.8 tm? -68.2 -41.93 80.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.144 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.451 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.5 mm? -62.4 -38.32 89.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.267 176.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 45.1 mt-10 -64.66 -34.05 77.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.572 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.68 -42.7 90.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.611 -176.781 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.524 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.2 pt -93.89 -9.92 9.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.927 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.07 28.5 20.48 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.657 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.451 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.7 mm? -121.46 30.01 6.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.629 0.252 . . . . 0.0 110.582 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.463 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.6 pt-20 -63.58 -14.47 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.961 0.41 . . . . 0.0 110.411 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.12 -23.53 66.6 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.656 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -114.24 9.45 17.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.695 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.463 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 24.1 m -54.75 -46.22 74.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.332 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.585 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 13.1 m -62.72 -38.92 92.38 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.23 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -56.83 -51.6 68.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.2 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.8 mm? -59.75 -52.65 64.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.122 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 tp -53.79 -47.73 70.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.532 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' B' ' 19' ' ' SER . 95.5 mt -67.85 -28.36 67.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.365 -177.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.428 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 30.6 m-80 -93.26 12.51 24.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.209 0.528 . . . . 0.0 111.172 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.74 1.3 57.51 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.082 171.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 98.7 m-85 -92.7 85.57 5.28 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.371 0.605 . . . . 0.0 109.687 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.91 -17.46 14.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.468 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 65.7 p -127.89 167.36 16.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.91 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.38 -27.98 68.28 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.414 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 43.2 mt-10 -69.15 -27.71 65.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.576 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -81.16 -45.63 16.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.515 ' HD1' HD12 ' B' ' 61' ' ' LEU . 43.1 t80 -65.72 -30.04 70.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.792 -174.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.9 ptpt -65.39 -9.85 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.034 -0.416 . . . . 0.0 111.135 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -100.05 -4.44 29.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.313 0.578 . . . . 0.0 110.084 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.5 tm? -67.81 126.49 29.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.291 -177.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -126.17 169.86 12.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.265 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.61 -41.15 96.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.129 0.49 . . . . 0.0 109.93 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' B' ' 41' ' ' ASN . 8.3 m -58.89 -25.09 63.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.396 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -79.07 -40.83 30.22 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.419 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.558 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 0.2 OUTLIER -59.5 -31.98 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.748 175.516 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' B' ' 38' ' ' THR . 7.2 m-20 -56.68 -41.38 77.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.155 171.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -74.59 -40.57 61.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.792 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.428 ' HG ' ' CG ' ' B' ' 24' ' ' ASN . 10.8 mp -74.18 -5.32 41.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.946 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 65.49 29.42 11.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.327 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.558 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 65.7 mt -92.87 79.38 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 2.8 mmt -88.22 1.19 55.02 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.337 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.621 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 71.1 m-20 -58.77 102.83 0.32 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.531 177.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.449 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 45.1 Cg_exo -54.22 -56.47 2.52 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.922 2.414 . . . . 0.0 114.279 -165.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.57 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 43.1 mt-30 -72.87 -32.23 65.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.847 0.356 . . . . 0.0 110.57 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.621 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 51.2 m170 -64.67 -41.29 96.18 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.591 ' O ' HD22 ' B' ' 55' ' ' LEU . 39.6 mtp180 -53.77 -56.16 19.99 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.032 172.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.469 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.7 -42.33 62.13 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.242 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.589 ' O ' HG21 ' A' ' 56' ' ' THR . 31.0 mtpt -65.72 -52.67 49.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.714 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.6 mt -53.9 -45.6 71.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.468 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -63.47 -47.01 83.56 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.965 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.601 HG21 ' O ' ' A' ' 53' ' ' LYS . 46.2 m -61.38 -40.72 95.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.644 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.57 -45.9 90.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.979 176.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.5 94.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.254 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 8.4 mm-40 -58.28 -53.0 63.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 110.193 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.3 mp -69.76 -38.61 76.83 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.968 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.723 HD11 ' HG ' ' B' ' 8' ' ' LEU . 56.7 mt -63.39 -24.19 67.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.344 0.52 . . . . 0.0 111.371 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.596 HD23 ' NH2' ' A' ' 11' ' ' ARG . 29.8 tp -72.46 -28.61 63.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -110.45 -36.91 5.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.59 44.68 1.0 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.283 -174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -81.59 41.61 0.64 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.176 0.512 . . . . 0.0 111.043 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p 49.67 37.66 13.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.383 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.86 32.91 4.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.153 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 75.6 m 64.17 169.38 0.17 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.093 0.557 . . . . 0.0 111.84 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.509 -0.758 . . . . 0.0 111.424 -175.202 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.606 ' HD3' ' OD1' ' B' ' 63' ' ' ASP . 13.1 Cg_exo -69.08 115.1 3.83 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.733 2.289 . . . . 0.0 111.88 -178.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -93.01 -18.24 22.92 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.678 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.43 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 36.2 p -122.14 166.98 13.72 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.025 -177.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.0 tm? -59.54 -51.76 68.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.74 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -52.58 -45.9 66.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.784 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 33.7 mm-40 -67.39 -31.93 72.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 -175.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -70.24 -42.76 71.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.385 178.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.2 mm? -61.85 -37.23 83.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.028 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.24 -30.77 68.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.014 0.435 . . . . 0.0 110.891 176.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 8' ' ' LEU . 17.3 tpp180 -64.82 -40.8 95.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.662 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.479 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.9 pt -94.98 -12.66 8.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -176.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.19 28.75 14.08 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.99 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.8 mm? -123.38 33.13 5.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.657 0.265 . . . . 0.0 110.664 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.8 pt-20 -58.49 -18.67 30.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.55 176.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 10.9 pt-20 -61.61 -19.99 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.414 174.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.452 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 88.7 m-70 -117.0 6.58 12.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.7 m -55.67 -45.57 77.7 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.178 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.566 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.4 t -63.62 -39.84 95.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.979 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.6 m -56.0 -52.46 64.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.943 0.402 . . . . 0.0 110.557 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.3 mm? -62.5 -50.36 71.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.091 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 27' ' ' GLN . 13.5 tp -54.01 -44.84 71.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.519 -176.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 19' ' ' SER . 88.0 mt -74.8 -22.44 58.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.578 -177.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -98.81 11.04 39.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.926 0.393 . . . . 0.0 111.646 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.98 -8.91 54.65 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.866 172.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.2 m-85 -87.2 76.67 9.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.351 0.596 . . . . 0.0 109.684 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' HA ' HD12 ' A' ' 22' ' ' LEU . 60.8 mt-30 -103.79 -11.81 17.33 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.876 -173.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -128.41 166.85 17.91 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.163 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.4 mt -68.36 -26.54 65.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.48 0.657 . . . . 0.0 109.483 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.22 -29.05 68.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.096 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 58.1 m-20 -81.93 -42.74 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.05 175.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.449 ' HD1' HD12 ' A' ' 61' ' ' LEU . 42.3 t80 -64.72 -27.16 68.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.973 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -70.92 -12.42 61.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.219 0.533 . . . . 0.0 110.68 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -96.89 -0.15 48.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.708 0.766 . . . . 0.0 109.577 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.58 HD11 HD11 ' A' ' 40' ' ' LEU . 3.2 tm? -75.48 122.74 24.3 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.853 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.492 ' C ' HD11 ' A' ' 55' ' ' LEU . 34.2 mmt180 -120.05 164.79 15.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.702 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.594 ' N ' HD11 ' A' ' 55' ' ' LEU . 30.3 tt0 -67.01 -36.85 83.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.071 0.462 . . . . 0.0 110.354 -175.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -60.06 -26.03 65.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.051 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.785 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 25.3 m170 -76.72 -35.63 57.68 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.58 HD11 HD11 ' A' ' 35' ' ' LEU . 6.1 mp -64.23 -34.82 78.98 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.589 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -55.47 -36.79 66.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.856 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.47 -38.86 48.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.7 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 37.2 mt -76.56 -2.35 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.09 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.6 t30 70.38 19.0 6.56 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.987 0.899 . . . . 0.0 110.473 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.449 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 57.4 mt -88.33 75.71 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.482 ' CE ' ' HA ' ' A' ' 46' ' ' MET . 0.8 OUTLIER -87.21 -6.92 58.41 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.475 -176.019 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 10.8 m-20 -57.54 104.95 0.46 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.365 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 44.9 Cg_exo -56.71 -51.29 9.38 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 124.08 3.187 . . . . 0.0 114.489 -169.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 48.2 mt-30 -69.09 -36.21 77.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.21 0.529 . . . . 0.0 110.317 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 16.1 m170 -68.69 -37.58 79.67 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.256 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.541 ' HG2' HD23 ' A' ' 40' ' ' LEU . 50.5 mtp180 -57.86 -55.62 32.53 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.956 170.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.495 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -49.88 -42.6 48.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.466 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.568 ' O ' HG21 ' B' ' 56' ' ' THR . 27.9 mtpt -66.73 -51.22 58.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.896 177.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.411 HD12 HD21 ' A' ' 40' ' ' LEU . 91.3 mt -54.33 -45.51 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.775 -178.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.594 HD11 ' N ' ' A' ' 37' ' ' GLU . 2.0 mm? -68.69 -36.71 78.84 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.701 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.557 HG21 ' O ' ' B' ' 53' ' ' LYS . 48.9 m -65.03 -40.38 94.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.265 0.555 . . . . 0.0 110.008 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.634 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -62.43 -46.63 87.68 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.248 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.74 89.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.02 -49.81 76.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.613 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.648 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.9 mp -73.33 -27.69 61.65 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.901 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD11 ' HG ' ' A' ' 8' ' ' LEU . 61.2 mt -72.02 -27.31 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.672 -0.642 . . . . 0.0 110.031 173.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.52 -37.75 65.54 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.684 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.602 ' OD1' ' HD3' ' B' ' 2' ' ' PRO . 0.6 OUTLIER -101.07 -37.64 8.51 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.421 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 90.1 m-85 -99.69 52.69 0.93 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.054 0.454 . . . . 0.0 110.305 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.95 48.04 0.93 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.648 0.737 . . . . 0.0 110.57 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.1 p 47.06 40.02 8.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.924 -1.035 . . . . 0.0 112.385 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.8 34.59 3.15 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.712 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 96.5 m 62.36 171.27 0.13 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.242 0.544 . . . . 0.0 112.022 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.087 178.325 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.602 ' HD3' ' OD1' ' A' ' 63' ' ' ASP . 13.0 Cg_exo -69.21 114.73 3.71 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.751 2.301 . . . . 0.0 111.953 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -92.76 -18.16 23.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.785 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.439 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 36.6 p -121.9 167.18 13.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.125 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.486 ' O ' HD23 ' B' ' 9' ' ' LEU . 1.9 tm? -59.64 -51.69 68.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.735 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -52.71 -45.87 67.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.738 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.439 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 34.4 mm-40 -67.35 -31.93 72.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.593 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.622 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -70.29 -42.81 71.55 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.265 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.543 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.2 mm? -61.89 -37.14 83.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.45 -30.64 68.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' B' ' 8' ' ' LEU . 17.3 tpp180 -64.72 -41.26 96.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.577 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.481 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.7 pt -94.36 -13.22 8.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.18 29.41 12.62 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.84 174.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.543 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -123.69 33.13 5.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.783 0.325 . . . . 0.0 110.669 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.7 pt-20 -58.42 -18.77 30.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.581 176.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.448 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 10.7 pt-20 -61.69 -19.78 62.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.46 174.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.448 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 88.3 m-70 -117.09 6.61 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 10.0 m -55.58 -45.61 77.34 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.156 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 27.2 t -63.82 -39.7 94.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.964 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.1 m -55.75 -52.64 63.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 0.0 110.62 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.515 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.3 mm? -62.57 -50.23 72.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.13 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' B' ' 27' ' ' GLN . 13.5 tp -54.27 -44.23 71.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.628 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.5 mt -75.07 -23.07 57.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.513 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -98.56 11.35 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.983 0.421 . . . . 0.0 111.485 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.86 -9.01 54.96 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.887 172.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.515 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.1 m-85 -87.1 76.49 9.28 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.381 0.61 . . . . 0.0 109.658 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.437 ' HA ' HD12 ' B' ' 22' ' ' LEU . 60.7 mt-30 -103.66 -11.66 17.52 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.86 -173.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 60.3 p -128.65 167.02 17.79 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.242 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt -68.56 -26.73 65.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.11 -28.98 68.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.156 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.446 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 56.3 m-20 -81.86 -42.79 19.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.918 175.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.452 ' HD1' HD12 ' B' ' 61' ' ' LEU . 42.5 t80 -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.988 -174.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -70.91 -12.53 61.59 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.911 -0.493 . . . . 0.0 110.614 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -96.77 -0.27 48.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.638 0.732 . . . . 0.0 109.584 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.559 HD11 HD11 ' B' ' 40' ' ' LEU . 3.2 tm? -75.4 122.66 24.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.803 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.485 ' C ' HD11 ' B' ' 55' ' ' LEU . 34.5 mmt180 -119.99 164.92 15.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.697 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.588 ' N ' HD11 ' B' ' 55' ' ' LEU . 30.6 tt0 -67.07 -36.87 82.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.145 0.498 . . . . 0.0 110.439 -175.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -60.15 -25.97 65.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.052 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.773 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 25.1 m170 -76.59 -35.86 57.89 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.237 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' B' ' 51' ' ' ARG . 6.1 mp -64.05 -34.88 79.02 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 175.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.55 -36.72 67.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.859 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -77.59 -38.58 47.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.702 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 37.6 mt -76.58 -2.79 34.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.152 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 t30 70.8 18.88 6.07 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.723 0.773 . . . . 0.0 110.38 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.453 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 57.6 mt -88.18 75.97 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' B' ' 46' ' ' MET . 0.8 OUTLIER -87.36 -7.06 58.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.638 -176.117 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 10.4 m-20 -57.37 104.97 0.46 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.41 177.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 44.0 Cg_exo -56.77 -51.03 9.9 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 124.053 3.169 . . . . 0.0 114.477 -169.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 48.0 mt-30 -69.35 -36.04 76.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.311 0.577 . . . . 0.0 110.298 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.467 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 16.2 m170 -68.86 -37.44 79.1 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.303 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.561 ' HG2' HD23 ' B' ' 40' ' ' LEU . 50.3 mtp180 -57.93 -55.54 33.65 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.971 170.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -49.93 -42.55 48.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.508 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.557 ' O ' HG21 ' A' ' 56' ' ' THR . 27.8 mtpt -66.71 -51.33 57.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.945 177.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.422 HD12 HD21 ' B' ' 40' ' ' LEU . 91.9 mt -54.29 -45.48 72.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.862 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.588 HD11 ' N ' ' B' ' 37' ' ' GLU . 2.0 mm? -68.55 -36.72 79.18 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.713 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.568 HG21 ' O ' ' A' ' 53' ' ' LYS . 48.3 m -65.14 -40.44 94.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.344 0.592 . . . . 0.0 110.01 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.648 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -62.38 -46.58 88.0 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.209 176.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.96 89.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -58.74 -49.86 76.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.618 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.634 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.9 mp -73.57 -27.56 61.38 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.872 -178.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.622 HD11 ' HG ' ' B' ' 8' ' ' LEU . 62.0 mt -71.89 -27.4 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.445 0.641 . . . . 0.0 110.056 173.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.51 -37.73 65.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.651 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.606 ' OD1' ' HD3' ' A' ' 2' ' ' PRO . 0.6 OUTLIER -101.19 -37.32 8.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.243 -175.341 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' B' ' 60' ' ' LEU . 90.0 m-85 -100.05 52.54 0.9 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.028 0.442 . . . . 0.0 110.256 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -79.58 48.0 0.88 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.564 0.697 . . . . 0.0 110.597 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.4 p 47.18 39.76 8.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 114.992 -1.003 . . . . 0.0 112.359 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.55 34.61 3.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.801 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 97.8 m 62.11 171.07 0.13 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.359 0.6 . . . . 0.0 111.913 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.048 178.504 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.73 117.65 5.14 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.743 2.295 . . . . 0.0 111.809 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -89.02 -14.16 37.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.183 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.9 p -133.12 170.46 15.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.152 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.413 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.6 tm? -60.67 -49.55 77.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.435 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -54.12 -44.52 71.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.214 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -69.07 -30.88 69.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.733 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.577 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -67.22 -42.48 84.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.996 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -62.2 -40.11 94.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.7 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -66.9 -30.11 70.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.534 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -65.86 -46.29 79.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.423 -179.051 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.517 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.6 pt -90.34 -12.7 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.992 -175.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.72 27.36 14.66 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.687 175.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.2 mm? -118.78 27.87 8.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.106 0.479 . . . . 0.0 110.133 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.6 pt-20 -60.82 -17.3 48.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.709 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.3 pt-20 -62.9 -20.01 64.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.008 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.48 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 83.5 m-70 -119.41 11.34 12.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.94 -175.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.453 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 15.1 m -55.06 -45.8 75.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.885 0.374 . . . . 0.0 110.767 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 28.9 m -62.65 -37.88 88.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.806 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 43.2 m -57.48 -50.68 72.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.796 0.331 . . . . 0.0 110.486 178.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.3 mm? -61.38 -53.29 58.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.848 176.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.19 -47.93 65.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.001 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 19' ' ' SER . 86.7 mt -71.05 -27.69 63.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.646 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -94.25 13.46 23.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.117 0.484 . . . . 0.0 111.379 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.24 -8.76 45.21 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.03 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.507 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 91.7 m-85 -86.17 79.86 8.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.14 0.495 . . . . 0.0 109.965 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -103.76 -19.4 14.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.007 -175.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.6 p -124.93 168.56 13.13 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.594 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.73 -26.91 66.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.405 0.622 . . . . 0.0 109.324 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 40.8 mt-10 -69.74 -25.42 63.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.972 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.444 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 58.3 m-20 -81.56 -48.58 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.33 -28.35 69.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.906 -174.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.6 ptpt -65.56 -8.77 21.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.199 -0.313 . . . . 0.0 111.536 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -105.69 6.0 31.56 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.194 0.521 . . . . 0.0 110.595 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.37 122.46 20.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.55 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' C ' HD11 ' A' ' 55' ' ' LEU . 19.6 mmt180 -119.8 165.6 14.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.252 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.578 ' N ' HD11 ' A' ' 55' ' ' LEU . 31.9 tt0 -64.33 -39.09 93.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.058 0.456 . . . . 0.0 110.4 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.1 m -56.44 -28.34 59.28 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.393 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.762 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 48.6 m170 -76.75 -34.54 58.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.096 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.534 HD12 HD12 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -63.38 -38.21 90.27 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.586 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 80.7 m-20 -59.19 -35.07 72.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.484 0.659 . . . . 0.0 109.726 175.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.56 -36.1 63.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.837 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 60.6 mt -82.47 -3.64 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.069 -177.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.7 t30 70.15 18.17 7.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.762 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.534 HD12 HD12 ' A' ' 40' ' ' LEU . 62.2 mt -88.87 72.59 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 173.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.586 ' SD ' ' HA ' ' A' ' 41' ' ' ASN . 70.1 mmm -83.57 -8.26 59.36 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.604 -172.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 27.7 m-20 -57.44 108.49 1.27 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.554 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 47.2 Cg_exo -56.46 -51.17 9.84 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 124.086 3.191 . . . . 0.0 114.589 -171.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.57 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 50.8 mt-30 -67.7 -36.07 79.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.039 0.447 . . . . 0.0 110.125 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 21.2 m170 -65.5 -43.09 91.21 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.815 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.572 ' O ' HD22 ' A' ' 55' ' ' LEU . 43.5 mtp180 -56.46 -54.24 48.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.053 172.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -50.0 -42.18 48.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.349 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.596 ' O ' HG21 ' B' ' 56' ' ' THR . 29.9 mtpt -67.84 -51.08 52.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.724 177.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 80.7 mt -54.63 -43.94 72.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.52 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.578 HD11 ' N ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -64.98 -44.8 88.11 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.321 179.646 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.605 HG21 ' O ' ' B' ' 53' ' ' LYS . 32.2 m -61.62 -40.99 96.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.013 0.435 . . . . 0.0 110.78 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.63 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.45 -46.74 88.97 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.931 176.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.16 97.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.317 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 23.3 mm-40 -58.55 -54.11 50.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.426 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.2 mp -65.95 -46.5 77.92 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.683 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.577 HD11 ' HG ' ' A' ' 8' ' ' LEU . 94.5 mt -60.24 -22.41 63.01 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.859 0.361 . . . . 0.0 111.691 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD23 HH22 ' B' ' 11' ' ' ARG . 24.3 tp -70.46 -26.9 63.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -113.41 -38.44 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.019 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -99.03 51.48 0.96 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 123.215 0.606 . . . . 0.0 111.263 -174.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -86.09 33.79 0.61 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.033 0.444 . . . . 0.0 110.875 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 p 51.36 25.93 2.82 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.939 0.896 . . . . 0.0 112.973 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.24 42.0 3.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.064 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.0 m 61.94 172.66 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.324 0.583 . . . . 0.0 111.872 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.032 178.502 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 112.378 -0.289 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.51 117.81 5.22 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.788 2.325 . . . . 0.0 111.735 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -89.36 -13.74 37.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.3 p -133.58 170.47 15.48 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.064 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.421 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.6 tm? -60.88 -49.39 77.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.545 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.28 -44.52 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.145 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -69.03 -30.96 69.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.661 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.595 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -67.15 -42.47 84.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.063 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.428 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -62.18 -40.26 95.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.635 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.86 -30.08 70.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 0.0 110.476 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.526 HH22 HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.73 -46.51 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.423 -179.181 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.51 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.5 pt -89.91 -13.34 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.011 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.23 27.39 13.55 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.651 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.428 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.2 mm? -118.7 27.85 8.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.978 0.418 . . . . 0.0 110.109 177.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.447 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.5 pt-20 -60.77 -17.52 49.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.858 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 11.5 pt-20 -62.72 -20.09 64.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.045 174.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 82.9 m-70 -119.16 10.95 12.22 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.981 0.364 . . . . 0.0 111.981 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.447 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 14.5 m -54.88 -45.76 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.75 0.309 . . . . 0.0 110.931 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.577 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 23.4 m -63.07 -37.46 87.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.699 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 52.8 m -57.66 -50.76 72.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.811 0.339 . . . . 0.0 110.369 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.3 mm? -61.25 -53.28 58.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.815 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.6 tp -52.45 -47.48 66.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.989 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 19' ' ' SER . 86.9 mt -71.1 -28.28 64.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.577 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -93.83 13.26 23.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.126 0.488 . . . . 0.0 111.364 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.46 -9.11 44.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.176 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.493 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 91.8 m-85 -85.78 79.91 9.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.167 0.508 . . . . 0.0 109.935 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -103.75 -19.73 14.2 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.778 -175.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -124.66 168.08 13.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.649 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -67.29 -26.95 66.79 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.448 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 40.4 mt-10 -69.6 -25.42 63.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.901 176.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.455 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 56.5 m-20 -81.56 -48.66 11.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.26 -28.45 70.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.9 -174.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.6 ptpt -65.5 -8.54 19.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.112 -0.367 . . . . 0.0 111.597 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.91 5.94 31.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.201 0.525 . . . . 0.0 110.584 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.18 122.33 19.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.65 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.51 ' C ' HD11 ' B' ' 55' ' ' LEU . 19.6 mmt180 -119.56 165.46 14.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.281 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.572 ' N ' HD11 ' B' ' 55' ' ' LEU . 31.9 tt0 -64.29 -39.04 93.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.013 0.435 . . . . 0.0 110.379 -175.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -56.38 -28.58 59.62 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.328 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.773 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 48.4 m170 -76.53 -34.67 58.53 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.087 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.529 HD12 HD12 ' B' ' 45' ' ' ILE . 0.4 OUTLIER -63.27 -38.2 90.21 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 175.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASN . . . . . 0.575 ' HA ' ' SD ' ' B' ' 46' ' ' MET . 81.4 m-20 -59.28 -34.97 72.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.812 175.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -74.54 -36.42 63.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.801 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 60.7 mt -82.08 -3.61 55.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.102 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 65.5 t30 70.32 17.75 6.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.793 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.529 HD12 HD12 ' B' ' 40' ' ' LEU . 62.1 mt -88.51 72.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 174.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' B' ' 41' ' ' ASN . 69.6 mmm -83.89 -8.02 59.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.613 -172.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.477 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 28.9 m-20 -57.5 108.32 1.22 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.52 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.55 -50.92 10.39 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 124.206 3.271 . . . . 0.0 114.557 -171.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.587 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 50.4 mt-30 -67.84 -36.26 80.03 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.477 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 20.9 m170 -65.49 -43.07 91.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.78 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.553 ' O ' HD22 ' B' ' 55' ' ' LEU . 43.7 mtp180 -56.43 -54.3 47.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.08 172.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.456 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -49.86 -42.28 47.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.279 -178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.605 ' O ' HG21 ' A' ' 56' ' ' THR . 29.7 mtpt -67.67 -51.4 50.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.771 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 80.3 mt -54.49 -43.82 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.6 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.572 HD11 ' N ' ' B' ' 37' ' ' GLU . 0.3 OUTLIER -65.07 -44.6 88.42 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.38 179.524 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.596 HG21 ' O ' ' A' ' 53' ' ' LYS . 32.0 m -61.65 -41.04 96.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.049 0.452 . . . . 0.0 110.762 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.61 -46.72 89.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.86 176.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.01 97.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.216 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 21.3 mm-40 -58.72 -54.17 50.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.393 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.63 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.2 mp -65.89 -46.54 77.99 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.664 -178.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.595 HD11 ' HG ' ' B' ' 8' ' ' LEU . 94.4 mt -60.13 -22.47 62.87 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.872 0.367 . . . . 0.0 111.812 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.463 HD23 ' NH2' ' A' ' 11' ' ' ARG . 24.3 tp -70.31 -27.34 64.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.379 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -112.93 -38.61 4.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.029 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.94 51.45 0.96 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.347 -174.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -85.65 33.46 0.58 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.074 0.464 . . . . 0.0 110.941 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.7 p 51.39 25.97 2.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.973 0.909 . . . . 0.0 112.917 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.41 42.39 3.15 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.17 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 89.5 m 61.76 172.34 0.12 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.364 0.602 . . . . 0.0 111.879 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.764 178.253 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 112.175 -0.37 . . . . 0.0 112.175 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.509 ' HD3' ' OD2' ' B' ' 63' ' ' ASP . 23.8 Cg_exo -63.47 114.57 2.58 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.695 2.264 . . . . 0.0 111.82 177.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -86.64 -19.18 29.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.226 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.567 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 77.4 p -125.15 165.61 17.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.016 -176.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.6 tm? -57.72 -47.87 81.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.444 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -54.01 -48.17 70.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.333 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.567 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 24.0 mm-40 -67.06 -33.0 74.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 61' ' ' LEU . 3.0 tm? -66.11 -46.61 76.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.422 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.3 mm? -61.93 -42.18 98.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.24 -30.95 71.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.784 0.326 . . . . 0.0 110.688 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HD3' ' HB3' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -64.31 -52.57 57.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.724 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.8 pt -81.51 -13.89 12.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.974 -175.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.19 24.28 17.19 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.744 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.9 mm? -117.03 31.48 6.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.905 0.383 . . . . 0.0 110.412 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.4 pt-20 -59.64 -18.41 41.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.927 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.92 -22.2 66.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.981 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.83 10.86 15.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.637 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.4 m -57.66 -45.63 85.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.051 0.453 . . . . 0.0 110.349 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.563 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 32.2 t -63.11 -36.32 83.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.904 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.3 m -58.82 -52.58 65.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.901 0.381 . . . . 0.0 110.117 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.9 mm? -60.19 -53.12 61.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.119 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 27' ' ' GLN . 20.2 tp -52.29 -49.19 64.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.689 -176.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 19' ' ' SER . 82.3 mt -73.23 -21.04 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.575 -176.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -96.34 12.17 32.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.962 0.411 . . . . 0.0 111.174 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.54 -8.36 51.64 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.938 172.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 95.2 m-85 -88.18 81.21 7.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.361 0.6 . . . . 0.0 109.699 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HA ' HD12 ' A' ' 22' ' ' LEU . 37.2 mt-30 -104.1 -15.99 15.39 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.617 -172.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -129.53 170.75 13.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.706 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.33 -29.05 69.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.325 0.583 . . . . 0.0 109.638 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 46.1 mt-10 -65.5 -30.32 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.412 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 50.3 m-20 -81.66 -44.3 17.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.04 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.528 ' HD2' HD12 ' A' ' 61' ' ' LEU . 45.1 t80 -65.48 -28.59 69.31 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.94 -174.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 19.4 ptpt -68.89 -7.79 38.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.105 0.478 . . . . 0.0 110.895 177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -103.86 2.38 32.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.652 0.739 . . . . 0.0 109.442 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -75.19 125.48 29.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.868 -178.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -130.04 169.45 15.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.632 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HB2' HD21 ' A' ' 55' ' ' LEU . 42.1 tt0 -61.72 -40.87 96.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.063 0.459 . . . . 0.0 110.17 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.7 m -57.15 -32.6 66.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.319 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.499 ' O ' HD13 ' A' ' 43' ' ' LEU . 66.6 m170 -76.58 -40.51 49.44 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.83 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -59.58 -34.4 72.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.095 175.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HA ' ' HE3' ' A' ' 46' ' ' MET . 95.9 m-20 -62.09 -36.73 82.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.108 175.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.14 -36.17 64.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.525 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 39' ' ' HIS . 11.2 mp -77.36 -4.54 45.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.02 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t30 67.29 29.5 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.619 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.415 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 55.9 mt -90.88 79.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.417 ' HE3' ' HA ' ' A' ' 41' ' ' ASN . 20.4 mmt -78.4 -11.7 59.96 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.489 -176.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.581 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 64.0 m-20 -55.33 105.16 0.49 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.538 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.97 -50.99 4.2 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.274 2.649 . . . . 0.0 113.847 -171.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 53.8 mt-30 -68.32 -36.13 78.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.994 0.426 . . . . 0.0 110.166 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 41.6 m170 -66.2 -42.13 89.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.718 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.582 ' O ' HD22 ' A' ' 55' ' ' LEU . 41.9 mtp180 -53.29 -53.51 49.86 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.052 171.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.38 -44.49 68.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.243 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.58 ' O ' HG21 ' B' ' 56' ' ' THR . 29.7 mtpt -64.79 -51.66 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.894 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 85.0 mt -55.39 -45.25 76.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.422 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.582 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -63.15 -42.35 99.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.873 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.581 HG21 ' O ' ' B' ' 53' ' ' LYS . 30.2 m -64.3 -41.16 96.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.237 0.542 . . . . 0.0 110.818 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.686 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -62.09 -43.53 98.64 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.831 177.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.6 90.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.5 mm-40 -57.68 -52.97 63.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.157 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.9 mp -74.09 -21.95 59.7 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.133 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 41.4 mt -74.03 -29.51 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.035 172.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.8 tp -72.05 -41.71 67.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.325 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.521 ' OD2' ' HD3' ' B' ' 2' ' ' PRO . 1.1 m-20 -89.74 -45.96 8.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.312 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.488 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 90.6 m-85 -96.97 52.9 1.18 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.961 0.41 . . . . 0.0 110.743 -175.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.01 43.5 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.78 0.8 . . . . 0.0 110.66 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p 46.54 40.36 8.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.579 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.89 32.91 3.63 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.575 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 80.2 m 63.58 166.04 0.13 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.33 0.586 . . . . 0.0 111.922 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.658 -0.687 . . . . 0.0 110.612 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 CA-C-O 120.008 -0.329 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.521 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 23.9 Cg_exo -63.55 114.73 2.66 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.724 2.283 . . . . 0.0 111.756 177.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -86.93 -18.61 30.38 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.298 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.588 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 72.3 p -125.59 165.88 17.72 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.921 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.426 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.6 tm? -58.21 -48.09 81.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.352 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -53.71 -48.13 69.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.421 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.588 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.2 mm-40 -67.2 -32.92 74.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.435 -176.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' B' ' 61' ' ' LEU . 3.0 tm? -66.15 -46.55 77.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.358 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.463 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.3 mm? -62.07 -41.91 98.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.01 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.56 -30.59 71.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.707 0.289 . . . . 0.0 110.867 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.515 ' HD3' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -64.35 -52.99 55.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.747 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.483 ' CG2' HG23 ' A' ' 56' ' ' THR . 42.0 pt -81.42 -13.74 12.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.899 -175.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.82 22.91 19.51 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.022 174.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.463 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -116.27 31.9 6.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.848 0.356 . . . . 0.0 110.369 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.501 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.5 pt-20 -59.82 -18.54 44.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.994 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.14 -21.23 66.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.989 175.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -116.6 10.79 14.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.605 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.501 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 9.1 m -57.73 -45.37 85.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.024 0.44 . . . . 0.0 110.444 178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.553 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 33.0 t -63.35 -36.59 84.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.848 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.6 m -58.51 -52.49 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.139 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.9 mm? -60.36 -53.16 61.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.119 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 27' ' ' GLN . 20.3 tp -52.25 -49.11 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.818 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 19' ' ' SER . 82.2 mt -73.18 -21.12 60.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.587 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -96.23 11.89 32.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.991 0.424 . . . . 0.0 111.196 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -8.16 51.13 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.862 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.487 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 95.5 m-85 -88.36 81.05 7.33 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.422 0.629 . . . . 0.0 109.695 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' B' ' 22' ' ' LEU . 37.2 mt-30 -104.03 -15.62 15.54 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.699 -172.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.2 p -129.64 170.98 13.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.712 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.57 -29.23 69.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.34 0.59 . . . . 0.0 109.486 174.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.2 -30.56 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.415 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.463 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 49.2 m-20 -81.46 -44.31 17.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.194 0.521 . . . . 0.0 109.877 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.538 ' HD2' HD12 ' B' ' 61' ' ' LEU . 45.1 t80 -65.66 -28.46 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.934 -174.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -69.02 -7.57 36.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.086 0.469 . . . . 0.0 110.902 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -104.05 2.3 31.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.721 0.772 . . . . 0.0 109.411 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -75.07 125.52 29.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.851 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -129.98 169.36 15.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.56 -177.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' B' ' 55' ' ' LEU . 42.4 tt0 -61.63 -41.08 96.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.003 0.43 . . . . 0.0 110.197 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.5 m -57.06 -32.57 66.36 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.241 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.503 ' O ' HD13 ' B' ' 43' ' ' LEU . 66.5 m170 -76.57 -40.19 50.4 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.894 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -59.79 -34.26 72.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.964 175.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASN . . . . . 0.428 ' HA ' ' HE3' ' B' ' 46' ' ' MET . 96.1 m-20 -62.08 -37.11 83.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.115 175.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -73.99 -35.58 64.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.535 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.503 HD13 ' O ' ' B' ' 39' ' ' HIS . 11.2 mp -78.08 -4.07 45.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.005 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 66.68 29.76 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.673 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.42 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 56.0 mt -90.99 79.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 174.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.428 ' HE3' ' HA ' ' B' ' 41' ' ' ASN . 19.9 mmt -78.33 -11.88 59.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.387 -176.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 65.0 m-20 -55.1 105.06 0.47 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.627 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.08 -50.85 4.32 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.407 2.738 . . . . 0.0 113.794 -171.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.1 mt-30 -68.84 -35.83 77.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.928 0.394 . . . . 0.0 110.128 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.585 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 40.8 m170 -66.28 -42.09 88.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.749 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.577 ' O ' HD22 ' B' ' 55' ' ' LEU . 41.7 mtp180 -53.32 -53.59 48.7 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.978 171.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.26 -44.49 68.24 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.287 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.581 ' O ' HG21 ' A' ' 56' ' ' THR . 29.9 mtpt -64.92 -51.58 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.797 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 84.9 mt -55.49 -45.17 77.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.348 -178.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -63.2 -42.27 99.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.895 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 53' ' ' LYS . 29.9 m -64.35 -41.14 96.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.167 0.508 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.659 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -62.12 -43.46 98.78 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.863 177.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.52 91.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.715 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.5 mm-40 -57.77 -53.01 63.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.063 178.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.9 mp -74.17 -21.81 59.68 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.147 -176.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 41.4 mt -73.96 -29.67 62.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.34 0.591 . . . . 0.0 110.124 172.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.05 -41.45 67.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.342 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.509 ' OD2' ' HD3' ' A' ' 2' ' ' PRO . 1.1 m-20 -89.7 -46.46 8.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.351 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' B' ' 60' ' ' LEU . 90.5 m-85 -96.67 52.93 1.23 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.039 0.447 . . . . 0.0 110.801 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -77.77 43.24 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.597 0.713 . . . . 0.0 110.608 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.4 p 46.72 40.18 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.535 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.83 32.91 3.62 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.557 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 83.6 m 63.49 165.78 0.13 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.48 0.657 . . . . 0.0 111.961 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.588 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.065 -0.414 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -61.85 121.67 9.86 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.8 2.334 . . . . 0.0 112.168 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -92.6 -17.86 23.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.646 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.499 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 45.1 p -126.41 169.39 13.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.81 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.6 tm? -62.81 -46.47 87.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.977 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.415 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 58.2 t-80 -51.59 -46.84 63.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.165 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.499 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 27.1 mm-40 -69.58 -32.41 71.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.711 -176.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -70.0 -43.8 70.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.7 mm? -62.06 -41.94 98.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 42.2 mt-10 -66.71 -31.44 72.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.868 0.366 . . . . 0.0 110.427 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -64.77 -46.21 83.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.183 -178.291 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.4 pt -87.67 -14.52 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.526 -177.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.52 30.8 8.78 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.998 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.8 mm? -121.8 33.88 5.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.943 0.402 . . . . 0.0 110.24 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.2 pt-20 -61.41 -15.84 40.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.798 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.27 -16.97 63.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.922 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -119.09 5.94 11.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.976 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.495 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 15.3 m -55.29 -46.88 76.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.898 0.38 . . . . 0.0 110.424 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.6 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 33.5 t -61.98 -39.3 91.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.915 176.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -56.55 -51.98 66.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.27 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.4 mm? -59.8 -52.12 66.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.197 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.98 -45.19 71.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.174 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 19' ' ' SER . 87.4 mt -68.37 -30.35 69.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.973 0.416 . . . . 0.0 111.081 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' ND2' ' HG ' ' A' ' 43' ' ' LEU . 28.7 m-80 -91.25 4.92 51.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.369 -177.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.8 -4.67 42.54 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.002 172.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.2 m-85 -89.47 82.49 6.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.104 0.478 . . . . 0.0 109.865 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -109.21 -11.74 14.87 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.711 -174.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -128.81 167.69 16.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.546 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.6 mt -65.68 -27.98 68.75 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.623 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 31.9 mt-10 -70.31 -27.17 64.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.636 178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.475 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 54.5 m-20 -80.37 -47.48 14.38 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.503 ' HD1' HD12 ' A' ' 61' ' ' LEU . 41.9 t80 -65.54 -28.99 69.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.061 -173.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.6 ptpt -66.36 -9.1 30.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 0.0 111.059 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -104.72 2.61 30.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.317 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.491 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -72.44 124.69 25.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.868 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' C ' HD11 ' A' ' 55' ' ' LEU . 21.3 mmt180 -121.16 166.94 13.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.511 ' N ' HD11 ' A' ' 55' ' ' LEU . 39.6 tt0 -63.51 -42.26 98.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.945 0.402 . . . . 0.0 110.575 -177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 m -60.4 -23.62 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.408 ' O ' HD13 ' A' ' 43' ' ' LEU . 39.1 m170 -76.38 -40.73 50.23 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.6 -33.86 72.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.821 175.599 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -56.67 -40.07 74.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.159 0.504 . . . . 0.0 110.073 171.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.42 -33.08 58.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.975 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' HG ' ' ND2' ' A' ' 24' ' ' ASN . 11.0 mp -81.0 -0.75 40.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.149 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.9 t30 64.83 30.85 12.0 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.896 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.468 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 60.5 mt -97.3 83.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.194 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.426 ' HA ' ' HE2' ' A' ' 46' ' ' MET . 3.9 mmt -93.16 -9.8 38.11 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.624 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 30.9 m-20 -61.18 110.18 2.8 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.219 177.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 34.7 Cg_exo -57.41 -47.0 23.97 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.88 3.053 . . . . 0.0 114.108 -171.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.621 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.5 mt-30 -68.49 -38.17 80.76 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.07 0.462 . . . . 0.0 110.04 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.466 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 13.9 m170 -66.87 -40.72 87.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.51 ' O ' HD22 ' A' ' 55' ' ' LEU . 44.2 mtp180 -56.65 -56.78 17.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.103 170.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -50.45 -43.71 55.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.439 -176.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 34.7 mtpt -66.21 -50.1 65.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.71 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 95.4 mt -55.88 -46.95 78.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.528 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.665 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -63.32 -45.04 93.15 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.175 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.6 HG21 ' O ' ' B' ' 53' ' ' LYS . 34.8 m -62.71 -39.44 94.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.059 0.457 . . . . 0.0 110.787 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.83 -45.06 95.95 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.912 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.78 96.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 8.0 mm-40 -57.66 -53.84 53.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.377 0.608 . . . . 0.0 110.273 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.5 mp -72.4 -31.66 65.73 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.784 -0.643 . . . . 0.0 112.347 -176.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.608 HD11 ' HG ' ' A' ' 8' ' ' LEU . 44.4 mt -67.53 -25.37 65.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.499 0.591 . . . . 0.0 110.757 176.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.476 HD23 ' NH2' ' B' ' 11' ' ' ARG . 33.1 tp -74.8 -32.66 62.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.748 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -103.52 -41.14 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.183 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 97.2 m-85 -100.05 48.41 0.93 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -175.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -80.68 37.06 0.4 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.03 0.443 . . . . 0.0 111.058 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.0 p 48.33 33.45 3.85 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.849 0.86 . . . . 0.0 112.741 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.04 34.89 2.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 99.3 m 65.81 159.73 0.12 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.245 0.618 . . . . 0.0 111.831 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.126 178.162 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -61.84 121.64 9.82 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.834 2.356 . . . . 0.0 112.144 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -92.53 -17.96 23.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.591 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.507 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 45.8 p -126.33 169.42 12.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.722 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.476 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.6 tm? -63.06 -46.15 88.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.008 -178.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.408 ' HA ' ' CG2' ' B' ' 18' ' ' THR . 58.2 t-80 -51.79 -46.82 64.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.1 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.507 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.3 mm-40 -69.7 -32.41 70.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.742 -176.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.626 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -69.83 -43.81 71.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.364 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.522 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.7 mm? -62.15 -41.78 98.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.437 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 41.8 mt-10 -66.83 -31.59 72.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.925 0.393 . . . . 0.0 110.379 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.476 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.82 -45.7 85.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.345 -178.387 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.9 pt -87.98 -14.69 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.646 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.78 30.54 8.89 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.062 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.522 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -121.58 33.77 5.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.888 0.375 . . . . 0.0 110.244 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.476 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 12.2 pt-20 -61.31 -16.14 42.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.857 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.89 -17.17 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.972 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -119.02 6.03 11.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.969 -176.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.476 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 16.2 m -55.44 -46.61 76.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.401 . . . . 0.0 110.483 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.594 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 32.8 t -62.0 -39.48 92.37 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.92 176.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -56.24 -52.14 65.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.931 0.396 . . . . 0.0 110.346 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.4 mm? -59.72 -52.13 66.82 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.162 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.99 -45.04 71.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.129 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' ' 19' ' ' SER . 87.6 mt -68.68 -30.23 68.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.408 . . . . 0.0 111.037 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.418 ' ND2' ' HG ' ' B' ' 43' ' ' LEU . 27.7 m-80 -91.32 5.11 50.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.434 -177.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.84 -4.8 42.45 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.947 172.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.5 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.0 m-85 -89.67 82.62 6.29 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.192 0.52 . . . . 0.0 109.971 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -109.46 -11.89 14.77 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.763 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 66.7 p -128.5 167.95 16.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.497 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.9 -27.69 68.39 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.587 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.416 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 32.5 mt-10 -70.78 -26.71 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.702 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 53.2 m-20 -80.58 -47.64 13.88 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.505 ' HD1' HD12 ' B' ' 61' ' ' LEU . 41.7 t80 -65.46 -28.95 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.05 -173.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.6 ptpt -66.45 -9.11 30.85 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.877 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -104.63 2.46 30.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.338 0.59 . . . . 0.0 110.374 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.484 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -72.23 124.69 25.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.858 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.455 ' C ' HD11 ' B' ' 55' ' ' LEU . 21.9 mmt180 -121.14 167.03 13.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.52 ' N ' HD11 ' B' ' 55' ' ' LEU . 39.4 tt0 -63.63 -42.14 98.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.885 0.374 . . . . 0.0 110.631 -177.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 39.3 m -60.53 -23.5 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.398 0.618 . . . . 0.0 110.347 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' B' ' 36' ' ' ARG . 39.8 m170 -76.47 -40.57 49.99 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.484 ' CD1' HD11 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -59.63 -34.09 72.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.784 175.694 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASN . . . . . 0.409 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 5.3 m-20 -56.27 -40.56 74.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.328 0.585 . . . . 0.0 110.028 172.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.2 -33.2 59.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.865 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.418 ' HG ' ' ND2' ' B' ' 24' ' ' ASN . 10.9 mp -80.68 -1.0 40.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.111 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 67.0 t30 64.84 31.15 11.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.676 0.75 . . . . 0.0 110.783 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.468 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 60.9 mt -97.35 83.6 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.169 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.414 ' CE ' ' HA ' ' B' ' 46' ' ' MET . 3.8 mmt -93.29 -9.44 39.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.51 -172.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 32.9 m-20 -61.3 110.35 2.98 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 123.354 0.408 . . . . 0.0 110.105 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 32.4 Cg_exo -57.72 -47.16 22.4 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.729 2.952 . . . . 0.0 114.126 -171.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.633 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.3 mt-30 -68.04 -38.28 82.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.468 ' O ' ' HG ' ' B' ' 54' ' ' LEU . 13.8 m170 -66.91 -40.68 87.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.103 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.496 ' O ' HD22 ' B' ' 55' ' ' LEU . 44.0 mtp180 -56.56 -56.75 17.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.181 170.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -50.5 -43.6 55.76 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.488 -176.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 34.8 mtpt -66.26 -50.14 64.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.729 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 95.1 mt -55.8 -46.98 77.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.512 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.3 OUTLIER -63.26 -45.05 93.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.253 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.593 HG21 ' O ' ' A' ' 53' ' ' LYS . 35.8 m -62.77 -39.46 94.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.02 0.438 . . . . 0.0 110.732 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.646 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.85 -45.05 96.02 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.939 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.91 96.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 7.8 mm-40 -57.49 -54.0 51.84 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.359 178.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.5 mp -72.33 -31.76 65.94 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.282 -176.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.626 HD11 ' HG ' ' B' ' 8' ' ' LEU . 44.7 mt -67.49 -25.23 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.465 0.575 . . . . 0.0 110.797 176.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.449 HD23 ' NH2' ' A' ' 11' ' ' ARG . 33.4 tp -75.06 -32.46 61.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.791 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -103.62 -41.13 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.153 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.501 ' HB3' ' O ' ' A' ' 64' ' ' TYR . 97.2 m-85 -100.05 48.47 0.93 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -175.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -80.98 37.41 0.43 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.334 0.588 . . . . 0.0 111.16 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 p 48.3 33.25 3.65 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.744 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.25 35.22 2.98 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.394 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 96.3 m 65.73 159.49 0.12 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.451 0.643 . . . . 0.0 111.907 -177.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.988 177.743 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.38 125.01 14.78 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.657 2.238 . . . . 0.0 112.142 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -99.09 -22.29 15.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.751 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.2 p -127.26 174.59 8.82 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.708 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.7 tm? -59.91 -53.2 60.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.444 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -54.23 -42.35 69.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.217 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -62.18 -41.92 98.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.718 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.7 tm? -67.46 -43.33 81.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.214 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.1 mm? -60.85 -42.52 97.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.66 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.16 -35.36 80.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.698 0.285 . . . . 0.0 110.676 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -46.16 90.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.423 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.493 ' CG2' HG23 ' B' ' 56' ' ' THR . 36.7 pt -90.38 -13.19 9.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.849 -176.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.03 26.05 15.49 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.906 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.7 mm? -117.84 29.78 7.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.997 0.427 . . . . 0.0 110.064 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -22.32 60.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.164 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.1 pt-20 -56.55 -22.09 30.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.519 172.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.403 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 85.6 m-70 -115.98 10.82 15.24 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -176.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -55.34 -50.85 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.012 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.6 t -64.05 -32.67 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.978 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.3 m -60.33 -53.94 51.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.086 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 3.0 mm? -58.33 -51.81 68.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.722 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.49 -48.14 62.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.919 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.2 mt -74.69 -26.35 59.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.667 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.486 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 24.3 m-80 -90.23 7.16 39.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.901 0.382 . . . . 0.0 111.557 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.94 1.26 42.18 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.759 172.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HA ' ' CB ' ' A' ' 31' ' ' ASP . 96.0 m-85 -99.52 82.82 2.7 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.253 0.549 . . . . 0.0 109.789 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -106.79 -16.73 14.41 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.714 -172.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -127.98 168.09 15.76 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.458 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 8' ' ' LEU . 85.3 mt -64.83 -29.24 70.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.343 0.592 . . . . 0.0 109.556 174.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.31 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.459 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 57.7 m-20 -82.78 -45.0 14.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.002 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.502 ' HD2' HD12 ' A' ' 61' ' ' LEU . 51.9 t80 -62.86 -29.6 70.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.872 -173.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.62 -4.95 21.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.113 0.482 . . . . 0.0 111.05 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -103.41 -1.19 28.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.924 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -72.29 129.48 38.52 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.106 -177.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -130.01 166.39 20.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.247 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' N ' HD11 ' A' ' 55' ' ' LEU . 39.9 tt0 -60.77 -43.44 98.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 110.667 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.4 m -58.93 -29.06 66.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.315 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.42 ' O ' HD13 ' A' ' 43' ' ' LEU . 28.4 m170 -75.9 -39.77 55.66 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.175 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -57.98 -34.62 70.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 176.499 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -57.99 -43.48 86.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.247 0.546 . . . . 0.0 109.915 172.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.83 -34.03 68.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.017 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' HG ' ' CG ' ' A' ' 24' ' ' ASN . 11.0 mp -78.48 -0.51 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.175 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 t30 66.36 26.06 10.27 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.808 0.813 . . . . 0.0 110.732 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.417 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 57.5 mt -91.02 87.7 2.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.2 mmt -87.71 -11.08 49.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.053 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 25.6 m-20 -58.87 102.92 0.32 Allowed Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.662 0.601 . . . . 0.0 110.412 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 32.2 Cg_exo -58.77 -51.35 7.2 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.858 3.038 . . . . 0.0 114.055 -169.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.617 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.0 mt-30 -69.26 -36.02 76.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.179 0.514 . . . . 0.0 110.08 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 26.5 m170 -68.92 -37.96 79.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.888 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.647 ' O ' HD22 ' A' ' 55' ' ' LEU . 39.7 mtp85 -57.43 -53.42 58.32 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.029 171.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.02 -41.23 64.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.324 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 38.6 mtpt -64.76 -50.66 65.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.812 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 89.4 mt -54.05 -45.45 71.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.571 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.64 -44.75 95.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.816 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.6 HG21 ' O ' ' B' ' 53' ' ' LYS . 31.0 m -60.25 -42.27 94.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.304 0.573 . . . . 0.0 110.987 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.618 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.94 -45.41 93.79 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.255 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.64 89.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.5 mm-40 -57.6 -53.05 62.52 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.93 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.653 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.0 mp -70.62 -33.85 71.46 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.015 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.718 HD11 ' HG ' ' A' ' 8' ' ' LEU . 71.3 mt -67.85 -26.05 65.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.051 0.453 . . . . 0.0 110.775 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.472 HD23 ' NH2' ' B' ' 11' ' ' ARG . 34.6 tp -72.35 -32.9 66.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.584 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -99.93 -53.6 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.809 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -83.74 48.83 1.49 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.337 -174.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -80.96 47.47 1.0 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.398 0.618 . . . . 0.0 110.393 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 p 46.49 42.66 11.23 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.644 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.5 34.06 3.76 Favored Glycine 0 N--CA 1.454 -0.16 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.932 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.402 ' O ' ' HB ' ' B' ' 66' ' ' THR . 91.2 m 63.32 164.91 0.12 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.181 0.515 . . . . 0.0 112.076 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 -179.181 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.64 124.48 13.76 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.788 2.325 . . . . 0.0 112.235 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -98.5 -22.54 15.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.795 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -127.21 174.49 8.89 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.705 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.52 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.7 tm? -59.68 -53.1 61.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.45 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -54.35 -42.52 70.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.193 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.92 -42.04 98.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.665 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.72 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.6 tm? -67.4 -43.37 81.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.377 -178.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -60.69 -42.53 97.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.761 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.2 -35.5 81.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.765 0.316 . . . . 0.0 110.717 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.472 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -60.13 -46.25 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.489 -178.386 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.489 ' CG2' HG23 ' A' ' 56' ' ' THR . 36.8 pt -90.39 -13.57 9.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.777 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.31 26.14 14.64 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.922 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.524 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.7 mm? -117.79 29.78 7.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.009 0.433 . . . . 0.0 110.154 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -22.42 60.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.11 176.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.74 -21.22 26.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.569 173.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -116.74 10.97 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.719 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.0 m -55.45 -50.95 68.5 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.027 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 25.0 t -64.09 -32.82 74.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.182 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 17.7 m -59.99 -53.9 52.37 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.153 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 3.0 mm? -58.3 -51.75 68.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.743 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.0 tp -51.56 -48.1 63.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.905 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 19' ' ' SER . 90.9 mt -74.74 -26.5 59.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.591 -176.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.472 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 22.6 m-80 -89.91 6.69 40.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.89 0.376 . . . . 0.0 111.439 -177.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.96 1.51 42.15 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.866 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.476 ' HA ' ' CB ' ' B' ' 31' ' ' ASP . 96.2 m-85 -99.68 83.02 2.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.333 0.587 . . . . 0.0 109.727 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -106.9 -16.65 14.41 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.714 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 58.6 p -127.99 168.35 15.41 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.303 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' B' ' 8' ' ' LEU . 85.7 mt -65.07 -29.19 70.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 109.446 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.33 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.487 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 54.9 m-20 -82.57 -45.1 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.011 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.505 ' HD2' HD12 ' B' ' 61' ' ' LEU . 51.9 t80 -63.17 -29.6 70.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.872 -173.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.35 -5.24 22.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.185 0.517 . . . . 0.0 111.031 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -103.17 -1.05 29.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.283 0.563 . . . . 0.0 110.03 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -72.3 129.52 38.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.115 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -130.06 166.25 20.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.114 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.415 ' N ' HD11 ' B' ' 55' ' ' LEU . 39.4 tt0 -60.81 -43.3 98.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.233 0.539 . . . . 0.0 110.658 -177.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 63.1 m -59.12 -28.84 66.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.379 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.414 ' O ' HD13 ' B' ' 43' ' ' LEU . 28.0 m170 -76.17 -39.66 54.37 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.156 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -58.08 -34.46 70.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.275 176.445 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -58.07 -43.42 86.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.168 0.509 . . . . 0.0 109.891 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.99 -33.87 68.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.932 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.472 ' HG ' ' CG ' ' B' ' 24' ' ' ASN . 10.9 mp -78.63 -0.07 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.079 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.17 25.54 10.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.788 0.804 . . . . 0.0 110.802 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.421 ' O ' ' HD2' ' B' ' 51' ' ' ARG . 56.5 mt -90.62 87.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.325 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 32.6 mmt -87.51 -11.72 48.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.066 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.476 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 23.5 m-20 -58.24 102.89 0.32 Allowed Pre-proline 0 N--CA 1.465 0.282 0 O-C-N 123.732 0.645 . . . . 0.0 110.429 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 34.0 Cg_exo -58.9 -51.13 7.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.87 3.046 . . . . 0.0 114.082 -169.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.638 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 53.5 mt-30 -69.44 -36.13 76.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.227 0.537 . . . . 0.0 110.061 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.476 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 26.0 m170 -68.72 -38.11 79.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.989 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.649 ' O ' HD22 ' B' ' 55' ' ' LEU . 40.5 mtp85 -57.39 -53.37 58.96 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.012 171.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.603 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.18 -41.07 64.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.255 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 38.4 mtpt -64.79 -50.83 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 89.2 mt -53.99 -45.23 71.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.583 -179.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.649 HD22 ' O ' ' B' ' 51' ' ' ARG . 0.1 OUTLIER -62.98 -44.59 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.764 179.684 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 53' ' ' LYS . 30.9 m -60.27 -42.36 95.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.874 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.653 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -61.96 -45.36 93.98 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.316 178.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.29 89.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.6 mm-40 -57.89 -52.9 63.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.92 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.618 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.9 mp -70.69 -33.84 71.33 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.064 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.72 HD11 ' HG ' ' B' ' 8' ' ' LEU . 71.9 mt -67.72 -26.02 65.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.127 0.489 . . . . 0.0 110.833 177.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -72.24 -33.22 67.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.552 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -100.07 -52.75 3.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.924 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.13 48.7 1.52 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.34 -174.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -80.82 47.27 0.96 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.473 0.654 . . . . 0.0 110.42 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 68' ' ' CYS . 22.1 p 46.71 42.83 12.16 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.494 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.68 33.81 3.86 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.838 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 87.5 m 63.61 164.65 0.12 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.269 0.557 . . . . 0.0 112.05 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.746 -179.425 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.446 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 30.1 Cg_exo -62.82 121.67 9.67 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.645 2.23 . . . . 0.0 112.228 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -98.94 -14.59 19.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.154 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.9 p -124.63 170.3 11.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.479 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.2 tm? -63.48 -49.04 75.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.337 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -58.06 -42.25 85.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.058 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.44 -40.54 87.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.55 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.602 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.7 tm? -68.93 -42.7 76.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.339 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.6 mm? -61.9 -41.46 97.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 40.4 mt-10 -68.57 -29.41 67.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 110.553 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -64.74 -39.85 94.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.453 -178.493 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.9 pt -97.38 -11.25 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.898 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.74 32.18 9.45 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.837 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.4 mm? -122.23 27.67 7.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.666 0.269 . . . . 0.0 110.688 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.422 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 11.9 pt-20 -57.67 -20.33 32.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.15 -20.78 60.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.248 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -116.08 8.99 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -54.62 -47.11 73.82 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.176 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 40.2 t -63.54 -40.02 95.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.098 177.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 m -54.59 -49.26 70.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.185 0.517 . . . . 0.0 110.444 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.4 mm? -63.32 -53.41 53.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.341 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -53.77 -43.33 69.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.222 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 19' ' ' SER . 93.2 mt -63.23 -35.21 79.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.003 0.43 . . . . 0.0 111.35 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -96.72 11.63 34.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.615 -174.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.59 -3.2 49.67 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.254 170.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.536 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 93.9 m-85 -88.82 76.45 7.97 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.051 0.453 . . . . 0.0 109.908 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -105.47 -12.09 16.14 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.826 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.2 p -127.04 165.18 19.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.375 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.24 -26.67 67.47 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.18 -31.67 72.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.426 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 62.6 m-20 -82.11 -41.49 20.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.138 0.494 . . . . 0.0 109.873 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 35.9 t80 -66.24 -27.98 68.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.571 -175.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -72.73 -4.6 32.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.18 0.514 . . . . 0.0 110.614 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -105.5 0.31 26.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 109.388 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 40' ' ' LEU . 2.3 tm? -75.06 121.04 21.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.611 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.461 ' C ' HD11 ' A' ' 55' ' ' LEU . 36.4 mmt180 -126.18 162.5 25.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.901 -174.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.54 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.7 tt0 -58.73 -39.96 82.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.054 0.454 . . . . 0.0 110.785 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.3 m -58.51 -30.68 67.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.233 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.664 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 56.8 m170 -77.89 -29.73 50.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.017 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 35' ' ' LEU . 8.7 mp -66.81 -32.48 73.78 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.709 0.29 . . . . 0.0 110.419 175.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.546 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 95.9 m-20 -60.61 -36.72 79.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.294 0.569 . . . . 0.0 109.612 173.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.77 -37.25 65.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.274 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 53.0 mt -75.95 -8.78 57.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.232 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.89 23.15 6.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.375 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -86.54 84.88 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.681 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.546 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 24.0 mmt -90.06 -12.38 38.66 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.403 -173.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 3.1 m-20 -59.84 110.0 2.44 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-O 120.958 0.409 . . . . 0.0 110.29 177.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 31.7 Cg_exo -58.15 -51.85 6.91 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.919 3.079 . . . . 0.0 114.487 -170.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 35.3 mt-30 -65.63 -39.25 91.27 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.126 0.489 . . . . 0.0 110.089 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -64.62 -38.77 92.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.726 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 53.4 mtp180 -57.07 -57.25 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.184 171.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.55 -42.76 62.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.515 -176.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.602 ' O ' HG21 ' B' ' 56' ' ' THR . 33.0 mtpt -66.46 -50.62 62.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.911 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.9 mt -54.83 -45.93 74.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.523 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.616 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -65.87 -43.12 89.29 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.442 -179.684 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.571 HG21 ' O ' ' B' ' 53' ' ' LYS . 35.5 m -61.3 -40.55 94.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.18 0.514 . . . . 0.0 110.68 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.637 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.81 -45.29 94.5 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.255 176.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -41.41 92.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.6 mm-40 -57.56 -54.38 47.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.736 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.594 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.8 mp -69.43 -35.36 75.63 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.912 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.602 HD11 ' HG ' ' A' ' 8' ' ' LEU . 52.9 mt -64.78 -24.51 67.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.171 0.442 . . . . 0.0 111.346 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.513 HD23 ' NH2' ' B' ' 11' ' ' ARG . 37.1 tp -73.76 -34.61 64.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.77 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -101.06 -34.53 9.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.145 0.498 . . . . 0.0 111.804 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.44 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 98.9 m-85 -107.05 48.54 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.432 -174.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.37 35.63 0.28 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.231 0.538 . . . . 0.0 110.741 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.415 ' H ' ' C ' ' A' ' 64' ' ' TYR . 1.5 p 48.87 34.3 5.25 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.326 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.37 39.07 2.99 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m 62.71 161.63 0.09 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.316 0.646 . . . . 0.0 112.241 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.026 178.865 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.428 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 27.9 Cg_exo -62.85 121.63 9.6 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.593 2.196 . . . . 0.0 112.317 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -98.96 -14.34 19.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.264 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -124.95 170.48 11.07 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.334 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.519 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -63.86 -48.91 74.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.224 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -57.98 -42.2 84.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.112 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -59.61 -40.32 87.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.586 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.7 tm? -69.03 -42.83 75.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.314 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.528 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.6 mm? -61.7 -41.66 97.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.428 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 40.4 mt-10 -68.23 -29.77 68.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.894 0.378 . . . . 0.0 110.476 176.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.513 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.71 -39.74 94.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.357 -178.152 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.478 ' CG2' HG23 ' A' ' 56' ' ' THR . 41.7 pt -97.36 -11.2 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.803 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.27 32.78 9.27 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.73 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.528 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.3 mm? -122.59 28.03 7.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.774 0.321 . . . . 0.0 110.667 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.428 ' HB3' ' HG2' ' B' ' 10' ' ' GLU . 11.8 pt-20 -58.11 -20.3 38.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.05 -20.48 58.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.21 176.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -116.21 8.9 14.47 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -54.66 -46.93 74.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.151 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 47.3 t -63.67 -40.31 96.51 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.129 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 11.9 m -54.19 -49.35 69.56 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.091 0.472 . . . . 0.0 110.42 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.4 mm? -63.29 -53.52 51.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.244 176.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -53.6 -43.32 68.5 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.267 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 19' ' ' SER . 93.2 mt -63.38 -35.07 79.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.065 0.46 . . . . 0.0 111.298 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -96.6 11.0 36.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.585 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.14 -3.38 47.8 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.245 170.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.539 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 93.4 m-85 -88.7 76.46 8.06 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.132 0.492 . . . . 0.0 109.891 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -105.66 -11.79 16.18 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.677 -174.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -127.29 165.13 20.27 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.324 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.27 -26.49 67.36 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 174.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.32 -31.95 73.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.372 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.469 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 62.7 m-20 -81.83 -41.44 21.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.047 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 36.2 t80 -66.36 -27.82 68.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.617 -175.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.14 -3.87 29.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.316 0.579 . . . . 0.0 110.607 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -105.9 0.04 25.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.773 0.797 . . . . 0.0 109.445 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.717 HD11 HD11 ' B' ' 40' ' ' LEU . 2.3 tm? -74.98 121.01 21.3 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.636 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.466 ' C ' HD11 ' B' ' 55' ' ' LEU . 36.4 mmt180 -126.15 162.37 25.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.924 -174.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.536 ' N ' HD11 ' B' ' 55' ' ' LEU . 44.5 tt0 -58.42 -39.94 81.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.036 0.446 . . . . 0.0 110.811 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.6 m -58.56 -30.8 67.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.512 0.672 . . . . 0.0 110.443 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.654 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 56.5 m170 -77.73 -29.94 51.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.839 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.717 HD11 HD11 ' B' ' 35' ' ' LEU . 8.7 mp -66.67 -32.53 73.9 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 110.421 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASN . . . . . 0.593 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 95.6 m-20 -60.49 -36.8 79.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.568 . . . . 0.0 109.582 173.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.83 -36.86 64.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.394 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 53.3 mt -76.17 -9.32 58.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.2 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 69.14 23.56 6.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.381 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 67.8 mt -86.98 84.89 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.609 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.593 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 24.1 mmt -90.1 -12.16 39.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.46 -173.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.71 109.91 2.34 Favored Pre-proline 0 N--CA 1.464 0.275 0 O-C-N 123.442 0.464 . . . . 0.0 110.396 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 31.8 Cg_exo -58.06 -52.01 6.67 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.976 3.117 . . . . 0.0 114.438 -170.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.599 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 35.8 mt-30 -65.54 -39.4 91.71 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.089 0.471 . . . . 0.0 110.224 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -64.51 -38.7 91.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.692 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 53.3 mtp180 -57.23 -57.11 14.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.182 171.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.507 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.62 -42.78 62.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.604 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 32.9 mtpt -66.29 -50.68 62.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.87 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.9 -45.91 74.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.484 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.626 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.5 OUTLIER -65.94 -42.99 89.34 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.454 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.602 HG21 ' O ' ' A' ' 53' ' ' LYS . 34.6 m -61.44 -40.42 94.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.085 0.469 . . . . 0.0 110.757 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.594 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -61.89 -45.21 94.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 176.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -41.44 92.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.7 mm-40 -57.55 -54.5 46.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.637 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.637 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.8 mp -69.31 -35.42 75.95 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.963 -176.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.615 HD11 ' HG ' ' B' ' 8' ' ' LEU . 53.2 mt -64.82 -24.29 67.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 118.192 0.451 . . . . 0.0 111.346 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.51 HD23 ' NH2' ' A' ' 11' ' ' ARG . 37.6 tp -74.34 -33.78 63.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -101.79 -34.24 9.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.073 0.463 . . . . 0.0 111.793 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.446 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 98.9 m-85 -107.28 48.62 0.83 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.457 -174.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.34 35.12 0.27 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.175 0.512 . . . . 0.0 110.893 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.414 ' H ' ' C ' ' B' ' 64' ' ' TYR . 1.4 p 49.42 34.35 6.55 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.196 -175.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.49 38.4 3.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.631 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 81.7 m 62.98 161.43 0.09 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.546 0.688 . . . . 0.0 112.278 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.188 178.836 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 112.316 -0.313 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.79 123.14 10.1 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.836 2.357 . . . . 0.0 112.3 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -100.76 -6.53 24.81 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.62 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.2 p -125.65 163.97 21.63 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.191 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.513 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.6 tm? -65.44 -43.35 90.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.968 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.57 -48.15 75.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.938 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.35 -31.8 73.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.839 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -70.3 -42.22 72.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.533 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.8 mm? -62.17 -39.61 93.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.462 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 44.1 mt-10 -68.86 -30.47 69.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.919 0.39 . . . . 0.0 110.446 176.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -41.44 96.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.979 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.2 pt -92.84 -14.6 8.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.889 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.42 27.49 13.11 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.812 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.8 mm? -119.09 31.39 6.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.96 0.41 . . . . 0.0 110.127 178.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 12.8 pt-20 -59.61 -19.11 46.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.816 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.6 pt-20 -60.87 -19.69 60.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.082 175.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.478 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 78.4 m-70 -120.09 9.91 11.28 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.1 m -54.53 -48.08 72.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 110.475 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 23.0 t -64.72 -37.12 86.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.115 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.0 m -55.19 -49.3 72.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.038 0.447 . . . . 0.0 110.45 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.506 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.7 mm? -64.12 -51.42 64.05 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.444 177.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CD1' HD12 ' A' ' 5' ' ' LEU . 5.7 mp -54.19 -44.93 72.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.087 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 19' ' ' SER . 90.1 mt -67.52 -25.39 65.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.329 -177.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -100.95 11.24 40.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.088 0.471 . . . . 0.0 111.446 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.12 -10.19 56.71 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.793 -0.717 . . . . 0.0 113.083 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.3 m-85 -83.34 76.24 9.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.114 0.483 . . . . 0.0 109.849 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -108.74 -1.75 19.13 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.467 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.6 p -133.87 157.94 44.68 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.147 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.81 -26.39 65.16 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.766 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.67 -24.4 59.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.014 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.7 -35.43 15.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.513 ' CD2' HD21 ' A' ' 5' ' ' LEU . 44.4 t80 -67.45 -25.8 66.08 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.308 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 18.2 ptpt -69.67 -4.27 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.811 -0.555 . . . . 0.0 110.68 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.71 0.93 33.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.69 175.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -71.28 131.31 43.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.708 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -132.03 166.55 21.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.926 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.531 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.2 tt0 -67.98 -37.49 81.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.081 0.467 . . . . 0.0 109.759 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -60.51 -30.9 70.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.835 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.746 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 65.6 m170 -76.13 -31.24 58.52 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.746 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.593 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 6.9 mp -68.45 -31.83 71.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.83 175.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.12 -32.56 71.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.482 0.658 . . . . 0.0 109.505 172.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 12.0 mm-40 -78.16 -37.5 45.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.353 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 62.7 mt -78.15 -3.3 41.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.287 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 67.77 28.62 7.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.772 0.796 . . . . 0.0 110.168 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 54.0 mt -100.69 77.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.494 178.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.4 -9.13 57.96 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.992 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 21.9 m-20 -60.68 109.53 2.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.569 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 48.9 Cg_exo -56.02 -46.91 27.67 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.963 3.109 . . . . 0.0 114.281 -171.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 51.6 mt-30 -69.34 -36.88 77.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.349 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -66.74 -39.71 88.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 41.8 mtp180 -57.53 -54.77 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.248 171.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.18 -43.64 64.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.397 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 27.9 mtpt -67.72 -53.21 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.139 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.431 HD12 HD21 ' A' ' 40' ' ' LEU . 84.7 mt -56.0 -42.71 76.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.412 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 3.7 mm? -64.9 -43.87 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.558 HG21 ' O ' ' B' ' 53' ' ' LYS . 48.2 m -64.57 -38.57 91.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.061 0.458 . . . . 0.0 110.658 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.604 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.76 -45.0 96.03 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.967 175.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.21 99.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 9.0 mm-40 -57.63 -52.66 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.952 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.0 mp -68.57 -43.93 75.52 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.579 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD11 ' HG ' ' A' ' 8' ' ' LEU . 77.2 mt -59.92 -27.15 66.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.251 0.478 . . . . 0.0 111.122 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 50.8 tp -62.32 -37.51 85.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.737 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -106.66 -25.77 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.369 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.462 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 98.3 m-85 -116.24 37.91 3.55 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -170.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.84 48.99 0.87 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.37 0.605 . . . . 0.0 111.234 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.405 ' OG1' ' HG2' ' B' ' 69' ' ' GLU . 17.4 p 50.51 35.46 11.36 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.611 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.13 33.98 4.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.842 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 91.7 m 63.14 174.94 0.15 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.881 0.472 . . . . 0.0 112.154 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.414 ' HG2' ' OG1' ' B' ' 66' ' ' THR . 42.0 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.532 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.8 123.35 10.32 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.889 2.392 . . . . 0.0 112.197 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -100.87 -7.07 23.87 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.567 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.1 p -125.14 163.7 21.85 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.279 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.6 tm? -65.17 -43.46 91.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.937 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.37 -48.21 74.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.914 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.4 -31.59 72.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.967 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.482 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -70.47 -42.0 72.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.635 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.504 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.8 mm? -62.41 -39.56 93.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.84 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.46 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 44.9 mt-10 -69.07 -30.24 68.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.909 0.385 . . . . 0.0 110.46 176.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.412 ' NH1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.22 -41.48 97.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.087 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.9 pt -93.08 -14.22 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.891 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.09 27.4 13.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.795 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.504 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.7 mm? -119.01 31.16 6.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.903 0.382 . . . . 0.0 110.144 178.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.46 ' HB3' ' HG2' ' B' ' 10' ' ' GLU . 12.7 pt-20 -59.53 -19.04 45.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.758 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 11.6 pt-20 -61.04 -19.63 61.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.025 175.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.467 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 78.7 m-70 -120.12 10.06 11.31 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -175.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.8 m -54.81 -47.58 73.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.945 0.402 . . . . 0.0 110.563 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 22.7 t -65.15 -37.39 87.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.919 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.7 m -54.82 -49.4 71.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.953 0.406 . . . . 0.0 110.491 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.518 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.7 mm? -64.08 -51.56 63.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.38 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' B' ' 5' ' ' LEU . 5.7 mp -54.02 -45.32 71.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.053 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 19' ' ' SER . 90.9 mt -67.1 -25.19 66.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.399 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -101.04 11.06 40.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.183 0.516 . . . . 0.0 111.48 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.2 -10.41 56.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.075 171.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.518 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.1 m-85 -83.11 76.07 9.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.2 0.524 . . . . 0.0 109.896 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -108.67 -1.8 19.19 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.561 -176.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.1 p -133.71 158.03 44.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.347 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 73.6 mt -68.61 -26.77 65.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.705 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.37 -24.28 60.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.056 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -89.93 -35.51 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.144 0.497 . . . . 0.0 109.685 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' B' ' 5' ' ' LEU . 44.1 t80 -67.3 -25.56 66.09 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.3 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 18.3 ptpt -69.67 -4.64 20.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.808 -0.558 . . . . 0.0 110.662 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.24 0.66 34.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.802 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.557 HD11 HD11 ' B' ' 40' ' ' LEU . 3.3 tm? -71.15 131.34 43.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.786 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -132.22 166.31 22.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.9 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.526 ' N ' HD11 ' B' ' 55' ' ' LEU . 43.7 tt0 -67.5 -37.58 83.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.136 0.493 . . . . 0.0 109.861 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 17.9 m -60.77 -30.73 70.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.811 174.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.753 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 65.8 m170 -75.98 -31.35 58.96 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.818 178.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.587 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 6.9 mp -68.55 -31.69 71.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.769 175.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.26 -32.36 71.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.371 0.605 . . . . 0.0 109.453 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 39' ' ' HIS . 11.2 mm-40 -78.35 -37.31 44.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.431 176.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 63.1 mt -78.28 -3.54 43.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.286 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 68.1 28.26 6.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.193 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.454 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 54.4 mt -100.26 77.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.529 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 26.1 mmt -85.34 -8.63 58.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.949 -175.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 22.3 m-20 -61.16 109.83 2.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.571 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 47.0 Cg_exo -56.11 -46.68 29.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.938 3.092 . . . . 0.0 114.243 -171.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 51.5 mt-30 -69.67 -36.76 76.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.934 0.397 . . . . 0.0 110.32 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -66.77 -39.7 87.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.587 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 42.1 mtp180 -57.5 -54.78 42.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.315 171.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.2 -43.57 64.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.438 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 27.9 mtpt -67.68 -53.22 29.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.138 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.412 HD12 HD21 ' B' ' 40' ' ' LEU . 84.3 mt -55.89 -42.89 76.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.327 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 3.7 mm? -64.88 -43.67 92.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.552 HG21 ' O ' ' A' ' 53' ' ' LYS . 50.8 m -64.69 -38.55 91.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.929 0.395 . . . . 0.0 110.501 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.631 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.95 -45.05 96.28 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.889 176.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.13 99.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.031 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 10.5 mm-40 -57.74 -52.66 64.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.882 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.1 mp -68.56 -44.02 75.38 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.665 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' B' ' 8' ' ' LEU . 77.1 mt -59.88 -27.34 66.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.139 0.427 . . . . 0.0 111.061 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' B' ' 59' ' ' GLU . 50.0 tp -61.88 -38.14 87.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.812 177.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -106.07 -26.06 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.27 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 98.3 m-85 -115.87 37.94 3.48 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -170.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.83 49.14 0.88 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.38 0.61 . . . . 0.0 111.22 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.414 ' OG1' ' HG2' ' A' ' 69' ' ' GLU . 17.1 p 50.31 35.75 11.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.565 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.34 34.33 4.03 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.905 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 92.9 m 62.82 174.55 0.15 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.113 0.482 . . . . 0.0 112.117 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.405 ' HG2' ' OG1' ' A' ' 66' ' ' THR . 41.9 mt-10 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.671 -0.681 . . . . 0.0 110.333 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 112.412 -0.275 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD3' ' OD2' ' B' ' 63' ' ' ASP . 3.2 Cg_exo -76.43 121.41 6.02 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.772 2.314 . . . . 0.0 111.884 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -102.3 -22.35 14.15 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.193 0.521 . . . . 0.0 109.911 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.48 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 48.8 p -114.87 171.07 7.87 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.501 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.5 tm? -63.22 -47.11 83.88 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.28 -178.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.45 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 53.7 t-80 -53.37 -46.67 69.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.369 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.48 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 24.9 mm-40 -68.46 -33.49 74.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.435 -176.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.56 ' HG ' HD11 ' A' ' 61' ' ' LEU . 3.0 tm? -66.76 -42.73 85.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.1 mm? -62.2 -38.25 88.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.09 -31.78 69.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.832 0.349 . . . . 0.0 110.556 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HD2' ' HB3' ' B' ' 59' ' ' GLU . 14.3 tpp180 -61.2 -43.75 98.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.487 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.3 pt -91.18 -12.86 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.873 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.79 20.45 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.544 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.9 mm? -118.35 30.32 7.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.926 0.394 . . . . 0.0 110.272 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.509 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.3 pt-20 -59.28 -19.26 44.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -58.21 -21.69 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.047 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -121.22 12.69 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.987 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.509 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 13.3 m -56.52 -47.11 80.07 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.452 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.492 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.3 m -64.13 -35.78 81.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.413 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -58.24 -51.87 67.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.062 0.458 . . . . 0.0 110.1 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.1 mm? -63.19 -52.87 60.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.14 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 tp -52.16 -48.48 64.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.969 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 19' ' ' SER . 92.9 mt -70.87 -26.93 63.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.471 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -96.14 18.8 12.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.624 -176.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.31 -7.54 56.53 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.704 -0.76 . . . . 0.0 113.0 170.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 95.0 m-85 -90.92 82.3 5.65 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.269 0.556 . . . . 0.0 109.963 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -109.5 -17.57 13.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.932 -174.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 p -125.25 168.79 12.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -68.69 -27.45 65.97 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.37 -28.89 67.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.545 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.484 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 61.1 m-20 -78.63 -48.07 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.009 0.433 . . . . 0.0 109.856 175.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CD2' HD21 ' A' ' 5' ' ' LEU . 42.5 t80 -63.38 -27.93 69.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.909 -173.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 17.6 ptpt -67.12 -9.4 39.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.012 -0.43 . . . . 0.0 111.021 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -100.07 2.81 43.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.392 0.615 . . . . 0.0 110.215 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.3 tm? -71.17 132.26 44.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.444 -178.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -128.64 162.78 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.12 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' N ' HD11 ' A' ' 55' ' ' LEU . 45.1 tt0 -65.86 -40.78 91.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.931 0.396 . . . . 0.0 110.249 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 38.8 m -61.78 -26.09 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.096 176.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.755 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 37.3 m170 -75.45 -35.0 61.0 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 5.4 mp -65.75 -34.33 77.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.538 174.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.2 m-20 -58.17 -36.52 73.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.424 0.63 . . . . 0.0 109.909 171.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 38' ' ' THR . 18.8 mm-40 -74.04 -39.89 63.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.555 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.755 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 49.2 mt -78.25 -5.58 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.971 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 66.97 32.29 6.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.493 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 64.7 mt -94.62 79.99 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 175.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.412 ' HA ' ' HE2' ' A' ' 46' ' ' MET . 2.2 mmt -88.08 -11.04 48.29 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.455 -172.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 9.1 m-20 -59.12 110.1 2.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.475 177.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 32.0 Cg_exo -58.33 -49.15 13.02 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.893 3.062 . . . . 0.0 114.391 -170.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.5 mt-30 -68.58 -35.08 76.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.091 0.472 . . . . 0.0 109.945 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -67.63 -39.43 84.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.405 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HG2' HD23 ' A' ' 40' ' ' LEU . 41.9 mtp180 -57.87 -53.54 57.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.262 171.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.454 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.57 -43.11 65.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.364 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.591 ' O ' HG21 ' B' ' 56' ' ' THR . 29.0 mtpt -66.39 -51.73 54.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.975 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -55.73 -43.93 77.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.402 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD11 ' N ' ' A' ' 37' ' ' GLU . 3.9 mm? -65.8 -40.67 92.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.433 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.568 HG21 ' O ' ' B' ' 53' ' ' LYS . 40.8 m -65.17 -41.49 94.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.07 0.462 . . . . 0.0 110.633 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.33 -43.51 98.74 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.113 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.59 92.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.526 ' HB3' ' HD2' ' B' ' 11' ' ' ARG . 30.4 mm-40 -57.98 -48.62 79.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.529 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.636 HD22 ' HA ' ' B' ' 57' ' ' ALA . 7.3 mp -68.4 -48.24 65.2 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.44 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.56 HD11 ' HG ' ' A' ' 8' ' ' LEU . 60.9 mt -56.77 -25.89 56.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.622 0.248 . . . . 0.0 111.236 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.04 -42.18 76.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.48 ' OD2' ' HD3' ' B' ' 2' ' ' PRO . 40.6 m-20 -107.87 -28.79 9.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.037 0.446 . . . . 0.0 112.142 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.476 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 98.2 m-85 -104.88 29.43 6.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -169.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 61' ' ' LEU . 8.6 p-10 -78.37 55.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.332 0.587 . . . . 0.0 112.035 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.4 p 49.6 39.38 17.11 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.757 0.823 . . . . 0.0 112.538 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.49 27.19 9.05 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.315 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.6 m 59.77 -171.52 0.13 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.091 0.472 . . . . 0.0 111.8 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.524 -0.751 . . . . 0.0 110.226 178.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 112.261 -0.336 . . . . 0.0 112.261 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.48 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 2.8 Cg_exo -76.13 121.64 6.25 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.752 2.301 . . . . 0.0 111.798 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -102.64 -22.19 14.01 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.178 0.513 . . . . 0.0 109.972 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.471 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 48.6 p -114.57 171.65 7.51 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.508 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.5 tm? -63.89 -46.98 82.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.098 -178.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.447 ' HA ' ' CG2' ' B' ' 18' ' ' THR . 53.6 t-80 -53.37 -46.69 69.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.405 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.471 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.2 mm-40 -68.42 -33.5 74.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.498 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.57 ' HG ' HD11 ' B' ' 61' ' ' LEU . 3.0 tm? -66.82 -42.7 85.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.496 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -62.23 -38.17 88.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -70.07 -31.92 69.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.769 0.318 . . . . 0.0 110.428 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.526 ' HD2' ' HB3' ' A' ' 59' ' ' GLU . 14.3 tpp180 -61.11 -43.97 98.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.587 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.488 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.0 pt -90.93 -13.18 9.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.791 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.13 28.52 20.23 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.556 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.496 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.9 mm? -118.14 30.17 7.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.813 0.34 . . . . 0.0 110.212 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.504 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 12.3 pt-20 -59.21 -18.88 40.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.577 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -59.06 -20.2 51.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.142 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -122.19 12.94 10.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.996 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.504 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 14.3 m -56.71 -47.17 80.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.406 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.48 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 15.2 m -63.99 -36.05 82.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.312 178.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -57.96 -51.97 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.033 0.444 . . . . 0.0 110.064 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.509 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.0 mm? -63.2 -52.81 60.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.239 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 tp -52.15 -48.58 64.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.826 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' B' ' 19' ' ' SER . 92.8 mt -70.72 -27.17 63.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.515 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -95.98 18.6 13.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.974 0.416 . . . . 0.0 111.605 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.68 -7.9 56.0 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.009 170.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 95.1 m-85 -90.67 82.51 5.77 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.313 0.578 . . . . 0.0 110.146 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -109.62 -17.53 13.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.966 -173.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 53.0 p -125.34 169.16 12.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.458 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.79 -26.9 65.44 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.26 -28.42 66.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.542 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 58.1 m-20 -78.92 -48.0 15.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.075 0.464 . . . . 0.0 109.8 175.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.423 ' CD2' HD21 ' B' ' 5' ' ' LEU . 42.5 t80 -63.29 -27.9 69.65 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.926 -173.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.463 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 17.7 ptpt -67.21 -9.29 38.78 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.143 178.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -100.24 3.05 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.329 0.585 . . . . 0.0 110.108 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.464 HD11 HD11 ' B' ' 40' ' ' LEU . 3.3 tm? -71.36 132.03 44.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.33 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -128.62 162.82 26.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.063 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.505 ' N ' HD11 ' B' ' 55' ' ' LEU . 45.3 tt0 -65.78 -40.64 92.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 0.0 110.4 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 51.7 m -62.18 -25.63 67.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.351 0.596 . . . . 0.0 110.226 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.75 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 37.8 m170 -75.52 -34.84 60.81 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.488 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 5.4 mp -66.01 -34.33 77.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.355 174.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' B' ' 38' ' ' THR . 6.1 m-20 -58.26 -36.49 73.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.336 0.589 . . . . 0.0 109.761 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 38' ' ' THR . 22.7 mm-40 -73.91 -40.01 63.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.63 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 48.7 mt -78.17 -5.42 51.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.068 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 67.11 31.65 6.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.488 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 64.4 mt -94.23 79.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.966 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 2.1 mmt -87.61 -11.22 49.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.571 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -58.85 110.08 2.37 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.362 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.41 -49.46 12.11 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.936 3.091 . . . . 0.0 114.342 -170.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.8 mt-30 -68.28 -35.1 77.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.061 0.458 . . . . 0.0 109.977 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -67.72 -39.53 84.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.383 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.451 ' HG2' HD23 ' B' ' 40' ' ' LEU . 42.3 mtp180 -57.46 -53.84 53.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.275 171.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.454 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.55 -43.05 64.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.252 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 29.1 mtpt -66.34 -51.76 54.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.991 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 88.7 mt -55.73 -44.07 77.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.372 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.505 HD11 ' N ' ' B' ' 37' ' ' GLU . 3.9 mm? -65.7 -40.66 92.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.421 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.591 HG21 ' O ' ' A' ' 53' ' ' LYS . 40.6 m -65.29 -41.38 94.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.13 0.49 . . . . 0.0 110.631 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.636 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -61.33 -43.53 98.71 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.073 177.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.59 92.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.791 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.503 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 32.2 mm-40 -57.87 -48.58 79.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.505 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.3 mp -68.6 -48.14 64.9 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.372 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.57 HD11 ' HG ' ' B' ' 8' ' ' LEU . 60.9 mt -56.9 -25.87 57.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.761 0.255 . . . . 0.0 111.281 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.95 -42.12 75.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 177.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.464 ' OD2' ' HD3' ' A' ' 2' ' ' PRO . 38.1 m-20 -108.32 -28.02 9.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.171 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.476 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . 98.2 m-85 -105.51 29.53 6.45 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -169.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.62 56.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.367 0.603 . . . . 0.0 111.979 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.1 p 49.53 39.2 16.39 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.806 0.842 . . . . 0.0 112.536 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.75 27.94 8.43 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.346 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.5 m 59.4 -171.17 0.12 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.044 0.449 . . . . 0.0 111.86 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.18 178.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -61.26 114.16 2.08 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.67 2.247 . . . . 0.0 112.064 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -87.42 -20.54 26.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.431 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.617 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 70.9 p -123.41 170.13 10.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.184 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.2 tm? -65.49 -43.11 91.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.87 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -53.76 -47.19 70.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.088 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.617 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 26.7 mm-40 -67.04 -31.8 72.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.349 -177.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.516 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.9 tm? -69.63 -43.32 72.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.118 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.1 mm? -63.0 -41.16 99.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.867 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 42.4 mt-10 -67.67 -28.01 67.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.008 0.432 . . . . 0.0 110.369 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.551 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -67.18 -44.62 79.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.183 -178.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.2 pt -93.02 -6.78 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.901 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.7 28.28 24.51 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.787 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.535 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.5 mm? -119.46 28.41 8.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.847 0.356 . . . . 0.0 110.569 177.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.489 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.6 pt-20 -59.42 -17.31 29.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.831 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.63 -23.12 67.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.091 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -114.34 7.46 16.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.876 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.489 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 7.2 m -54.88 -44.02 73.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.794 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 29.4 m -57.66 -42.26 83.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.874 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -56.54 -48.08 78.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.93 0.395 . . . . 0.0 110.712 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -63.74 -52.47 60.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.169 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' CD1' HD12 ' A' ' 5' ' ' LEU . 6.0 mp -55.38 -41.37 72.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.232 -178.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 19' ' ' SER . 89.2 mt -69.86 -26.62 64.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.856 0.36 . . . . 0.0 111.336 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -100.6 12.34 37.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.968 0.413 . . . . 0.0 111.373 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.44 -8.95 58.86 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.111 171.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.491 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 87.1 m-85 -83.7 73.34 10.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.228 0.537 . . . . 0.0 109.757 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -104.61 -9.58 18.15 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.165 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.8 p -128.2 160.43 32.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.277 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' ' 8' ' ' LEU . 69.2 mt -69.01 -27.62 65.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.386 0.613 . . . . 0.0 109.686 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 44.3 mt-10 -68.52 -27.98 66.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.757 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -90.41 -38.34 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.094 0.474 . . . . 0.0 110.094 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 66.0 t80 -64.88 -26.93 68.54 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.054 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 17.2 ptpt -67.73 -12.44 60.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.184 0.516 . . . . 0.0 110.965 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -96.79 -4.3 40.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.678 0.751 . . . . 0.0 109.427 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 40' ' ' LEU . 2.9 tm? -74.97 123.66 25.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.045 177.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -131.32 174.68 9.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.052 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.96 -45.76 91.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.1 m -59.42 -27.26 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.322 0.582 . . . . 0.0 110.323 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.725 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 13.3 m170 -76.64 -34.52 58.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.888 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 35' ' ' LEU . 6.7 mp -67.26 -31.88 72.52 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 176.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 88.8 m-20 -60.21 -33.17 71.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.303 0.573 . . . . 0.0 109.625 173.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -78.06 -38.2 44.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.435 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 60.7 mt -77.07 -3.11 37.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.354 -177.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.6 t30 71.28 14.56 6.51 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.623 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.452 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 61.2 mt -82.57 77.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.668 0.746 . . . . 0.0 109.226 177.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.401 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 3.8 mmt -84.18 -3.13 57.94 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.341 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.571 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 62.4 m-20 -58.15 107.01 0.79 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.882 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.65 -52.08 4.23 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.399 2.733 . . . . 0.0 114.077 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.571 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.4 mt-30 -71.64 -34.24 69.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.329 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 60.7 m170 -67.16 -39.5 86.49 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.822 178.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 32.0 mtp180 -54.69 -55.11 33.22 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.792 170.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.503 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.68 -44.29 63.06 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.459 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 30.4 mtpt -68.19 -53.93 21.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.147 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -53.11 -45.8 68.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.102 0.477 . . . . 0.0 111.335 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.655 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -64.84 -46.25 82.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.733 -178.741 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.529 HG21 ' O ' ' B' ' 53' ' ' LYS . 81.2 m -59.9 -40.04 87.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.012 0.434 . . . . 0.0 110.889 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -58.88 -48.72 80.4 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.052 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.5 91.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.286 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 16.0 mm-40 -56.36 -54.9 40.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.26 0.552 . . . . 0.0 110.046 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' B' ' 57' ' ' ALA . 7.6 mp -67.39 -40.3 85.64 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.78 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 8' ' ' LEU . 95.2 mt -64.28 -21.87 66.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.789 0.328 . . . . 0.0 111.725 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.584 HD23 ' NH2' ' B' ' 11' ' ' ARG . 34.4 tp -74.55 -26.92 60.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.949 0.404 . . . . 0.0 110.563 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -105.61 -45.31 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.859 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -93.04 47.91 1.3 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.034 -174.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -81.67 53.47 2.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.418 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.4 p 41.92 38.51 1.04 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.611 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.76 32.15 6.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.658 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 63.9 m 62.57 178.36 0.14 Allowed 'General case' 0 C--O 1.233 0.229 0 C-N-CA 122.705 0.402 . . . . 0.0 111.483 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.244 0.816 0 CA-C-O 118.533 -0.746 . . . . 0.0 109.909 177.008 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.961 -0.456 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.28 114.0 2.01 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.721 2.28 . . . . 0.0 112.114 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -87.39 -20.21 27.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.447 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.612 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 73.9 p -123.54 170.22 10.63 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.064 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.529 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.3 tm? -65.73 -42.98 90.38 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.74 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -53.6 -47.08 70.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.215 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.612 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 31.9 mm-40 -67.22 -31.78 72.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 -177.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.508 HD11 ' HB1' ' B' ' 57' ' ' ALA . 2.9 tm? -69.71 -43.27 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.156 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.535 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.1 mm? -63.01 -41.25 99.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.801 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 42.1 mt-10 -67.5 -28.16 67.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.368 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.584 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -67.18 -44.41 79.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.198 -178.775 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.493 ' CG2' HG23 ' A' ' 56' ' ' THR . 38.9 pt -93.0 -7.04 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.867 -176.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.69 28.24 24.65 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.944 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.535 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.5 mm? -119.25 28.35 8.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 120.815 0.34 . . . . 0.0 110.554 177.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.494 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.9 pt-20 -59.6 -16.98 29.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.79 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.07 -22.35 66.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.181 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -115.02 7.55 15.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.882 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 7.2 m -54.85 -43.92 73.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 110.764 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.538 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 24.1 m -58.18 -42.14 85.44 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.723 178.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -56.27 -48.26 76.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.0 110.685 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.492 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -63.68 -52.42 60.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.234 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.433 ' CD1' HD12 ' B' ' 5' ' ' LEU . 6.0 mp -55.51 -41.51 73.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.153 -178.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.7 mt -69.56 -26.81 64.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.402 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -100.33 11.97 38.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.114 0.483 . . . . 0.0 111.406 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.53 -8.6 58.53 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.02 171.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.492 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 87.2 m-85 -83.84 73.45 10.31 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.157 0.504 . . . . 0.0 109.76 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -104.85 -9.63 17.89 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.226 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 74.1 p -128.04 160.09 33.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.286 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' B' ' 8' ' ' LEU . 67.9 mt -68.66 -27.62 66.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.368 0.604 . . . . 0.0 109.824 176.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.484 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 44.1 mt-10 -68.45 -28.15 66.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.883 178.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -90.02 -38.27 13.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.168 0.509 . . . . 0.0 110.055 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.538 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 66.0 t80 -65.11 -27.02 68.46 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.928 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 17.2 ptpt -67.72 -12.73 61.16 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.879 -0.513 . . . . 0.0 110.957 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -96.44 -4.24 42.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.582 0.706 . . . . 0.0 109.419 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.581 HD11 HD11 ' B' ' 40' ' ' LEU . 2.9 tm? -75.08 123.76 25.79 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.073 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -131.3 174.82 9.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.958 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.06 -45.72 91.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 -177.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 26.3 m -59.4 -27.43 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.332 0.587 . . . . 0.0 110.288 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.731 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 13.3 m170 -76.52 -34.47 58.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.83 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.581 HD11 HD11 ' B' ' 35' ' ' LEU . 6.7 mp -67.32 -31.98 72.63 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.777 176.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASN . . . . . 0.521 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 88.7 m-20 -60.03 -33.6 72.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.391 0.615 . . . . 0.0 109.63 173.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.52 -38.47 48.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.481 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 61.3 mt -76.81 -3.53 38.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.378 -177.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 9.4 t30 71.83 14.3 5.98 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 110.465 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.472 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 61.1 mt -82.31 77.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.675 0.75 . . . . 0.0 109.205 177.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.521 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 4.0 mmt -84.24 -3.1 57.98 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.276 -177.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.551 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 62.8 m-20 -58.4 106.81 0.76 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.809 175.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.63 -51.82 4.58 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.418 2.746 . . . . 0.0 114.139 -170.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.577 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 52.6 mt-30 -71.79 -34.26 69.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.079 0.466 . . . . 0.0 110.238 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.551 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 60.4 m170 -67.1 -39.66 86.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.737 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.552 ' O ' HD22 ' B' ' 55' ' ' LEU . 32.5 mtp180 -54.47 -55.2 31.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.73 170.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.508 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.72 -44.38 63.21 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.424 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 30.4 mtpt -68.12 -53.81 22.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.216 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 77.9 mt -53.23 -45.85 68.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.066 0.46 . . . . 0.0 111.242 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.658 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -64.77 -46.35 82.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.702 -178.665 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 53' ' ' LYS . 82.9 m -59.83 -39.93 86.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.042 0.449 . . . . 0.0 110.855 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.623 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.1 -48.43 81.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.053 176.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.58 92.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.277 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 16.2 mm-40 -56.25 -54.95 39.3 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.407 0.622 . . . . 0.0 110.126 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.6 mp -67.46 -40.13 85.35 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.783 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.46 HD11 ' HG ' ' B' ' 8' ' ' LEU . 94.8 mt -64.42 -21.76 66.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.865 0.364 . . . . 0.0 111.717 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.551 HD23 ' NH2' ' A' ' 11' ' ' ARG . 34.2 tp -74.4 -27.33 60.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.043 0.449 . . . . 0.0 110.486 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -105.28 -45.23 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.934 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.14 48.12 1.31 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.072 -174.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -81.79 52.57 1.95 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.169 0.509 . . . . 0.0 110.474 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 p 42.62 38.42 1.28 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.663 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.61 32.01 6.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.679 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 63.2 m 62.77 178.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.716 0.407 . . . . 0.0 111.514 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.906 176.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 111.991 -0.443 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.07 123.74 9.5 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.869 2.38 . . . . 0.0 112.426 -178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -101.36 -14.78 17.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.067 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.477 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 24.3 p -131.37 173.8 10.71 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.524 -178.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.3 tm? -63.42 -51.47 65.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.961 -174.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -53.15 -42.08 65.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.405 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.477 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 28.4 mm-40 -68.9 -33.38 73.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.38 -176.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.442 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.9 tm? -69.49 -41.12 76.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.806 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.9 mm? -62.37 -40.95 98.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.834 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 46.9 mt-10 -66.92 -33.47 75.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.086 0.469 . . . . 0.0 110.406 176.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.552 HH22 HD23 ' B' ' 62' ' ' LEU . 0.1 OUTLIER -62.2 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.388 -179.028 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.512 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.6 pt -92.35 -12.48 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.786 -177.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.16 33.08 9.06 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.944 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.2 mm? -124.97 30.63 5.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.72 0.295 . . . . 0.0 110.599 177.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 10.6 pt-20 -59.55 -19.8 51.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.676 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.62 -21.38 62.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.299 175.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -117.07 9.8 13.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.86 -175.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.4 m -57.07 -48.39 78.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.758 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 19.0 m -60.67 -35.26 75.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.278 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 m -58.85 -49.18 78.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.116 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -60.0 -52.46 65.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.072 176.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' CD1' HD12 ' A' ' 5' ' ' LEU . 7.2 mp -54.64 -42.68 71.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.517 . . . . 0.0 112.058 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.8 mt -68.5 -25.88 65.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.948 0.404 . . . . 0.0 111.338 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.5 ' ND2' ' HG ' ' A' ' 43' ' ' LEU . 31.5 m-80 -99.72 12.36 36.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.238 0.542 . . . . 0.0 111.257 -178.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.5 -10.94 59.62 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.781 171.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 94.1 m-85 -83.85 72.86 10.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.191 0.519 . . . . 0.0 110.15 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -101.92 -6.45 23.48 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.119 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -131.77 160.46 35.49 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.165 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.18 -27.1 65.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.432 0.634 . . . . 0.0 109.301 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 25.7 tp10 -66.77 -31.54 72.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.692 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -87.03 -40.24 14.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.14 0.495 . . . . 0.0 109.806 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD1' HD21 ' A' ' 5' ' ' LEU . 55.5 t80 -63.4 -27.97 69.67 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.975 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 16.7 ptpt -66.95 -4.66 10.1 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.029 -0.419 . . . . 0.0 111.452 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -105.49 5.07 31.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.236 0.541 . . . . 0.0 110.285 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 3.4 tm? -72.11 126.04 28.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.492 -177.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.493 ' HD3' ' O ' ' A' ' 35' ' ' LEU . 20.6 mmt180 -128.26 169.71 13.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.424 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HB2' HD21 ' A' ' 55' ' ' LEU . 43.9 tt0 -60.96 -46.79 89.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.827 0.346 . . . . 0.0 110.777 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 12.0 m -57.15 -25.26 58.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.802 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -76.42 -42.66 43.4 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.367 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.566 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 2.1 mp -61.33 -30.35 70.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.037 177.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.5 m-20 -55.23 -38.48 68.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.003 171.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.59 -35.83 39.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.661 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.5 ' HG ' ' ND2' ' A' ' 24' ' ' ASN . 11.0 mp -76.54 -2.21 31.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.524 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.39 18.81 5.45 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.833 0.825 . . . . 0.0 110.072 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.566 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 57.7 mt -91.75 77.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.401 0.62 . . . . 0.0 109.422 177.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.4 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 2.0 mmt -82.7 -10.65 58.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.399 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.618 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 54.6 m-20 -51.71 105.95 0.59 Allowed Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.349 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.65 -49.25 10.68 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.578 2.852 . . . . 0.0 114.009 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.9 mt-30 -70.14 -36.92 75.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.128 0.49 . . . . 0.0 110.204 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 23.2 m170 -67.26 -40.01 86.15 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.481 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HA ' HD23 ' A' ' 40' ' ' LEU . 42.5 mtp180 -55.49 -52.58 63.19 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.027 171.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.521 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.01 -42.5 65.69 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.131 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' O ' HG21 ' B' ' 56' ' ' THR . 27.9 mtpt -68.71 -53.81 19.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.7 mt -54.99 -42.77 72.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.29 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.583 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -63.28 -48.27 78.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.477 179.316 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.539 HG21 ' O ' ' B' ' 53' ' ' LYS . 54.9 m -61.26 -40.94 95.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.021 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.646 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -58.97 -48.03 83.0 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.889 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.32 97.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 39.9 mm-40 -56.31 -55.36 34.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.313 0.578 . . . . 0.0 110.289 177.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.7 mp -66.05 -45.74 80.29 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.547 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.439 HD11 ' HG ' ' A' ' 8' ' ' LEU . 83.7 mt -59.69 -20.75 58.35 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD23 HH22 ' B' ' 11' ' ' ARG . 31.7 tp -74.98 -27.45 60.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.014 0.435 . . . . 0.0 110.795 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -110.02 -33.53 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.833 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.598 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 98.3 m-85 -106.24 41.83 1.36 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.221 -173.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.96 39.52 0.5 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.969 0.414 . . . . 0.0 111.475 -178.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.4 p 47.98 35.63 5.27 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.565 0.746 . . . . 0.0 112.324 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.3 28.91 9.63 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.076 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.8 m 66.85 159.28 0.14 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.246 0.618 . . . . 0.0 111.484 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.49 177.739 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -71.96 123.55 9.39 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.841 2.361 . . . . 0.0 112.457 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -101.2 -14.72 17.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.056 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.465 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 24.0 p -131.54 173.59 10.96 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.515 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.486 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -63.28 -51.67 65.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.87 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -53.01 -41.95 65.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.487 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.465 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 28.6 mm-40 -69.09 -33.25 73.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.49 -176.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.454 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -69.44 -41.19 76.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.778 179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.9 mm? -62.37 -40.69 97.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.848 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.408 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 46.8 mt-10 -67.26 -33.2 74.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.379 . . . . 0.0 110.375 176.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.498 HH22 HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -62.3 -44.12 97.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.326 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.517 ' CG2' HG23 ' A' ' 56' ' ' THR . 39.8 pt -92.15 -12.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.614 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.88 33.29 9.13 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.936 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.524 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.2 mm? -124.86 30.25 5.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.774 0.321 . . . . 0.0 110.661 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.413 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 10.8 pt-20 -59.11 -19.99 49.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.739 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -60.19 -21.97 62.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.37 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -116.74 9.67 14.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.95 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 9.4 m -57.04 -48.27 78.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.03 0.443 . . . . 0.0 110.774 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 17.4 m -60.61 -35.47 76.23 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.245 177.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -58.79 -49.14 78.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 0.0 110.111 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -60.06 -52.46 65.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.055 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -54.6 -42.73 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.032 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 19' ' ' SER . 92.0 mt -68.62 -25.79 65.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.997 0.427 . . . . 0.0 111.269 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.508 ' ND2' ' HG ' ' B' ' 43' ' ' LEU . 33.0 m-80 -99.74 12.7 35.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.236 0.541 . . . . 0.0 111.102 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.07 -10.77 60.29 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.834 171.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.497 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 94.0 m-85 -83.92 72.9 10.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.194 0.521 . . . . 0.0 110.206 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -102.11 -6.07 23.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.033 -177.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.9 p -131.98 160.43 35.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.108 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.13 -27.29 65.44 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 26.5 tp10 -66.87 -31.3 71.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.586 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.98 -40.65 14.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.124 0.488 . . . . 0.0 109.846 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.437 ' CD1' HD21 ' B' ' 5' ' ' LEU . 55.3 t80 -63.11 -28.08 69.83 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.006 -177.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 16.7 ptpt -66.75 -4.63 9.5 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.022 -0.424 . . . . 0.0 111.465 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -105.48 4.99 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.2 0.524 . . . . 0.0 110.286 176.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.486 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 3.4 tm? -72.16 125.9 28.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.402 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' B' ' 35' ' ' LEU . 20.5 mmt180 -128.17 170.05 13.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 -178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.562 ' HB2' HD21 ' B' ' 55' ' ' LEU . 43.3 tt0 -61.43 -46.54 89.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.6 m -57.58 -25.03 59.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.725 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -76.32 -42.79 43.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.432 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.572 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 2.1 mp -61.21 -30.38 70.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.124 177.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.34 -38.27 68.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.013 171.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -79.99 -35.03 38.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' ND2' ' B' ' 24' ' ' ASN . 10.9 mp -77.17 -2.16 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.434 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.21 18.76 5.64 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.749 0.785 . . . . 0.0 110.233 178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.572 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 57.5 mt -91.62 77.49 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.452 177.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' B' ' 46' ' ' MET . 2.0 mmt -83.03 -10.79 58.57 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.236 -177.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 52.0 m-20 -51.33 105.9 0.58 Allowed Pre-proline 0 C--O 1.224 -0.246 0 O-C-N 124.222 0.951 . . . . 0.0 110.355 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 33.6 Cg_exo -59.52 -49.46 10.4 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.468 2.778 . . . . 0.0 114.088 -171.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.532 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.1 mt-30 -69.96 -36.84 75.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.07 0.462 . . . . 0.0 110.283 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.644 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 22.7 m170 -67.26 -40.05 86.17 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.49 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.491 ' HA ' HD23 ' B' ' 40' ' ' LEU . 42.3 mtp180 -55.51 -52.31 64.1 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.109 171.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.504 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.31 -42.58 66.81 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.159 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 56' ' ' THR . 28.1 mtpt -68.59 -53.73 20.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.128 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -55.04 -42.76 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.28 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.1 OUTLIER -63.4 -48.13 79.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.465 179.303 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.565 HG21 ' O ' ' A' ' 53' ' ' LYS . 55.2 m -61.27 -41.05 96.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.985 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -58.84 -48.03 82.78 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.893 176.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.21 96.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.346 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 39.3 mm-40 -56.41 -55.12 37.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.184 0.516 . . . . 0.0 110.346 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.7 mp -66.31 -45.62 79.71 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.587 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.454 HD11 ' HG ' ' B' ' 8' ' ' LEU . 84.7 mt -59.74 -20.58 57.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.552 HD23 HH22 ' A' ' 11' ' ' ARG . 31.7 tp -75.26 -27.25 59.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.773 0.32 . . . . 0.0 110.789 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -110.25 -33.66 6.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.13 0.49 . . . . 0.0 111.73 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.598 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 98.3 m-85 -105.91 41.65 1.37 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.287 -173.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -80.76 39.38 0.48 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.903 0.382 . . . . 0.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.4 p 48.01 35.7 5.42 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.517 0.727 . . . . 0.0 112.355 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.45 29.18 9.29 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.85 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 63.3 m 66.47 159.04 0.13 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.191 0.597 . . . . 0.0 111.521 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.337 177.602 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.827 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.432 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 22.2 Cg_exo -65.17 119.76 6.85 Favored 'Trans proline' 0 CA--C 1.516 -0.4 0 C-N-CA 122.921 2.414 . . . . 0.0 113.161 -174.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -99.8 -15.37 18.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.654 174.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.8 p -127.11 170.21 12.6 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.73 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.3 tm? -61.18 -53.44 56.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.611 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -56.36 -42.03 77.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -58.94 -42.46 89.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.798 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.8 tm? -67.61 -43.07 81.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.1 mm? -60.35 -41.46 93.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.98 -30.07 68.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -48.57 72.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.861 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' CG2' HG23 ' B' ' 56' ' ' THR . 36.8 pt -86.04 -15.39 10.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.653 -176.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.21 34.13 7.3 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.787 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.2 mm? -123.22 32.38 5.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.955 0.407 . . . . 0.0 110.508 176.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 10.9 pt-20 -60.05 -18.86 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.752 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.0 -23.5 65.45 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.986 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -114.05 9.05 17.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.941 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.476 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 12.9 m -56.31 -47.7 78.18 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 14.0 t -61.87 -35.35 78.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.175 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -57.17 -54.52 45.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.947 0.403 . . . . 0.0 110.269 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.5 mm? -61.93 -50.91 70.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.142 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.2 -45.48 72.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.067 -175.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 19' ' ' SER . 68.6 mt -74.63 -28.82 61.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.446 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -92.37 10.31 30.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.009 0.433 . . . . 0.0 111.547 -175.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.41 -12.37 47.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.051 171.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.4 m-85 -83.27 69.92 10.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.357 0.598 . . . . 0.0 109.479 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -98.44 -10.56 23.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.653 -174.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.8 p -130.46 159.18 37.82 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.338 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.75 -27.3 68.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.461 0.648 . . . . 0.0 109.361 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.29 -33.5 76.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.826 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.7 -36.03 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.196 0.522 . . . . 0.0 109.932 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.471 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 57.0 t80 -64.91 -28.5 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.729 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.22 -8.99 50.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.902 -0.499 . . . . 0.0 110.831 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -101.34 -1.26 33.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.498 0.666 . . . . 0.0 109.639 175.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 40' ' ' LEU . 2.0 tm? -73.74 115.53 13.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.028 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.454 HH22 HD22 ' A' ' 62' ' ' LEU . 30.3 mmt180 -122.69 162.12 22.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.256 -172.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.8 tt0 -53.97 -44.81 71.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.908 0.385 . . . . 0.0 111.577 -173.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 21.0 m -62.14 -26.22 68.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.291 0.567 . . . . 0.0 110.472 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.752 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 51.1 m170 -75.78 -36.8 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 35' ' ' LEU . 8.5 mp -61.88 -37.11 83.34 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.857 0.361 . . . . 0.0 110.1 174.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.8 m-20 -55.59 -40.89 72.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.958 172.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 38' ' ' THR . 39.3 mt-10 -70.87 -37.73 73.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.755 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 49.6 mt -80.21 -2.0 43.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.298 -177.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 t30 65.57 26.1 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.48 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -85.4 77.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.436 ' O ' ' HD3' ' A' ' 48' ' ' PRO . 5.0 mmt -95.37 28.53 2.86 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.44 -174.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 42.0 m-20 -92.7 98.8 2.4 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.283 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 72.3 Cg_exo -50.03 -54.97 4.58 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 123.386 2.724 . . . . 0.0 114.543 -167.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 48.4 mt-30 -68.31 -37.42 80.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.26 0.552 . . . . 0.0 110.389 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.545 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 25.6 m170 -66.26 -38.12 87.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.618 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.51 ' O ' HD22 ' A' ' 55' ' ' LEU . 48.7 mtp180 -55.02 -57.71 10.59 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.828 170.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.605 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.15 -40.75 61.84 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.473 -176.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.61 ' CG ' ' HB1' ' B' ' 52' ' ' ALA . 32.8 mtpt -64.83 -51.83 59.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.811 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.0 mt -54.19 -46.12 72.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.603 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.588 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -65.69 -41.24 92.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.26 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.572 HG21 ' O ' ' B' ' 53' ' ' LYS . 42.1 m -63.16 -39.37 94.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.153 0.502 . . . . 0.0 110.561 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.26 -47.75 84.67 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.938 175.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.28 79.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.173 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 6.2 mm-40 -60.51 -54.53 44.41 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.084 178.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.7 mp -71.67 -29.61 64.79 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.781 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.504 HD11 ' HG ' ' A' ' 8' ' ' LEU . 87.6 mt -69.44 -24.23 63.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.255 0.55 . . . . 0.0 110.49 175.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.454 HD22 HH22 ' A' ' 36' ' ' ARG . 52.2 tp -74.31 -43.67 55.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.587 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -91.14 -41.81 10.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' B' ' 2' ' ' PRO . 97.1 m-85 -97.18 49.52 1.06 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.982 0.42 . . . . 0.0 110.765 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -80.16 51.55 1.4 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.5 0.667 . . . . 0.0 110.423 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' B' ' 68' ' ' CYS . 25.8 p 44.86 39.96 3.98 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 114.986 -1.007 . . . . 0.0 113.03 177.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.17 37.57 3.2 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.788 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' O ' ' HB ' ' B' ' 66' ' ' THR . 98.4 m 61.29 171.3 0.11 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.946 0.498 . . . . 0.0 111.849 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.641 -178.122 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.425 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 22.1 Cg_exo -65.28 119.5 6.53 Favored 'Trans proline' 0 CA--C 1.516 -0.396 0 C-N-CA 123.013 2.476 . . . . 0.0 113.152 -174.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -99.5 -15.72 18.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.662 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 44.3 p -126.95 170.26 12.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.802 -176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.494 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -61.33 -53.34 57.98 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.588 -177.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -56.38 -42.02 77.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -59.04 -42.38 90.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.722 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' B' ' 57' ' ' ALA . 2.8 tm? -67.48 -43.16 81.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.393 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.518 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -60.35 -41.62 94.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.737 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.401 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 47.3 mt-10 -68.85 -30.3 68.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.891 0.377 . . . . 0.0 110.779 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -48.77 72.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.864 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' A' ' 56' ' ' THR . 36.7 pt -85.74 -15.75 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.743 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.54 34.08 7.19 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.892 174.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.518 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.2 mm? -123.15 32.41 5.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.955 0.407 . . . . 0.0 110.507 176.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.481 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.1 pt-20 -60.08 -18.51 47.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.728 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.19 -23.45 65.6 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.054 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -114.24 9.05 16.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.875 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.481 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 12.0 m -56.27 -47.44 78.58 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.743 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.557 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 13.1 t -62.15 -35.02 77.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.211 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.1 m -57.71 -54.25 48.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.036 0.446 . . . . 0.0 110.272 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.5 mm? -61.76 -51.15 69.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.055 177.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.31 -45.09 72.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.095 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' B' ' 19' ' ' SER . 68.1 mt -74.99 -28.61 60.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.03 0.443 . . . . 0.0 111.531 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -92.87 11.38 27.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.633 -175.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.95 -13.09 49.59 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.999 171.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.507 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.4 m-85 -82.99 69.8 9.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.389 0.614 . . . . 0.0 109.586 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -98.31 -10.36 24.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.71 -174.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 74.5 p -130.48 159.21 37.75 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.369 -177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.83 -27.05 67.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.438 0.637 . . . . 0.0 109.335 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.27 -34.2 77.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.563 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.28 -35.92 16.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.218 0.533 . . . . 0.0 109.888 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.477 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 56.8 t80 -64.88 -28.41 69.52 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.797 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.22 -9.16 51.72 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.898 -0.501 . . . . 0.0 110.844 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -101.09 -1.61 33.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.549 0.69 . . . . 0.0 109.675 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.642 HD11 HD11 ' B' ' 40' ' ' LEU . 2.0 tm? -73.4 115.44 12.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.185 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.454 HH22 HD22 ' B' ' 62' ' ' LEU . 30.2 mmt180 -122.52 162.36 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.407 -172.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.415 ' N ' HD11 ' B' ' 55' ' ' LEU . 45.2 tt0 -54.19 -44.64 71.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.836 0.35 . . . . 0.0 111.62 -173.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' B' ' 41' ' ' ASN . 20.5 m -62.31 -26.25 68.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.319 0.581 . . . . 0.0 110.533 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.776 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 51.0 m170 -75.87 -36.41 59.57 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.642 HD11 HD11 ' B' ' 35' ' ' LEU . 8.6 mp -62.06 -37.01 83.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 120.862 0.363 . . . . 0.0 110.093 174.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' B' ' 38' ' ' THR . 7.0 m-20 -55.45 -41.31 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.006 172.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 38' ' ' THR . 39.1 mt-10 -70.64 -37.62 73.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.744 178.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 48.4 mt -80.16 -2.11 43.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.359 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 t30 65.4 26.74 11.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.726 0.774 . . . . 0.0 110.456 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.4 mt -86.1 77.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.444 ' O ' ' HD3' ' B' ' 48' ' ' PRO . 4.9 mmt -95.33 28.44 2.89 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.439 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.574 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 40.0 m-20 -92.39 98.69 2.23 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.28 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.468 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 73.4 Cg_exo -50.0 -55.0 4.55 Favored 'Trans proline' 0 N--CA 1.474 0.348 0 C-N-CA 123.474 2.783 . . . . 0.0 114.428 -167.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 48.1 mt-30 -68.38 -37.42 80.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.196 0.522 . . . . 0.0 110.378 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.574 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 25.4 m170 -66.29 -38.16 87.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.643 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.527 ' O ' HD22 ' B' ' 55' ' ' LEU . 48.5 mtp180 -54.86 -57.88 9.84 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.801 170.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.61 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.15 -40.64 61.68 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.461 -176.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.605 ' CG ' ' HB1' ' A' ' 52' ' ' ALA . 32.8 mtpt -64.9 -51.93 59.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.82 176.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 92.7 mt -54.11 -46.06 72.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.597 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.4 OUTLIER -65.7 -41.3 92.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.346 -179.611 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.559 HG21 ' O ' ' A' ' 53' ' ' LYS . 44.3 m -63.06 -39.29 94.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.511 . . . . 0.0 110.54 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.34 -47.74 84.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.941 175.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.23 79.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 6.0 mm-40 -60.66 -54.55 43.97 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.078 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.7 mp -71.49 -29.69 65.1 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.813 -177.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.518 HD11 ' HG ' ' B' ' 8' ' ' LEU . 86.8 mt -69.49 -24.23 63.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.147 0.499 . . . . 0.0 110.443 175.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.454 HD22 HH22 ' B' ' 36' ' ' ARG . 52.0 tp -74.29 -43.65 55.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.566 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -91.44 -41.33 10.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.432 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 97.2 m-85 -97.28 49.26 1.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.976 0.417 . . . . 0.0 110.811 -175.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.82 51.52 1.33 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.465 0.65 . . . . 0.0 110.415 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 68' ' ' CYS . 23.4 p 45.0 39.97 4.12 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.922 177.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.5 37.81 3.2 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.772 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.422 ' O ' ' HB ' ' A' ' 66' ' ' THR . 98.5 m 61.48 171.24 0.11 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 111.979 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.556 -178.339 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.484 ' HA3' ' OD1' ' B' ' 63' ' ' ASP . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.485 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 19.5 Cg_exo -65.26 121.38 8.82 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.633 2.222 . . . . 0.0 112.062 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -106.33 -12.13 15.78 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -121.51 164.92 16.42 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.594 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.2 tm? -58.62 -53.53 57.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.94 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.513 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 12.6 t60 -55.34 -43.53 75.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.491 -177.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.26 -41.45 88.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.156 0.503 . . . . 0.0 110.902 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD21 HD11 ' B' ' 60' ' ' LEU . 2.6 tm? -67.68 -43.97 78.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.016 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.0 mm? -59.65 -40.35 87.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.575 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 49.8 mt-10 -63.26 -37.52 87.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.081 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -70.33 -43.95 69.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' B' ' 56' ' ' THR . 43.2 pt -81.72 -13.91 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.104 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.2 25.87 13.42 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.1 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.4 mm? -121.81 29.91 6.91 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.757 0.313 . . . . 0.0 110.755 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 9.7 pt-20 -60.0 -21.5 61.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.678 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.81 -23.05 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.127 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -109.17 3.82 22.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.721 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 24.7 m -52.78 -47.89 67.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.907 0.384 . . . . 0.0 111.091 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.573 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.5 m -60.07 -39.94 87.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.628 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 32.7 m -56.38 -49.53 74.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 0.0 110.552 177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.1 mm? -61.69 -54.19 46.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.986 176.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 27' ' ' GLN . 20.7 tp -51.06 -49.49 60.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.749 -177.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 19' ' ' SER . 97.5 mt -65.16 -35.14 80.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -91.22 14.46 14.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.107 0.479 . . . . 0.0 111.588 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -7.73 50.59 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.112 170.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 94.5 m-85 -87.44 75.6 9.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.534 0.683 . . . . 0.0 109.615 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.467 ' HA ' HD12 ' A' ' 22' ' ' LEU . 40.8 mt-30 -97.94 -18.55 18.59 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.671 -173.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 p -129.14 168.93 15.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.728 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.16 -25.07 65.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 0.0 109.603 174.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 43.2 mt-10 -71.3 -25.22 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.542 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 47.8 m-20 -83.42 -46.27 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.36 0.6 . . . . 0.0 109.638 173.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.17 -25.31 68.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.986 -173.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 18.4 ptpt -66.86 -9.83 41.81 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.027 -0.421 . . . . 0.0 111.691 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -108.64 8.02 26.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.346 0.593 . . . . 0.0 110.269 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.577 HD11 HD11 ' A' ' 40' ' ' LEU . 3.2 tm? -71.22 125.88 28.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.697 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.486 ' C ' HD11 ' A' ' 55' ' ' LEU . 35.6 mmt180 -124.59 165.76 17.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -177.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.527 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.4 tt0 -64.8 -37.49 87.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.953 0.406 . . . . 0.0 110.153 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.0 m -58.17 -31.09 66.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.948 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.777 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 25.5 m170 -75.96 -35.8 59.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.185 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.597 HD12 HD12 ' A' ' 43' ' ' LEU . 4.5 mp -64.09 -32.91 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.816 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -57.81 -41.98 83.31 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.72 -35.56 70.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.71 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.777 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 47.3 mt -79.78 -2.05 41.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.044 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.5 t30 67.64 21.25 9.42 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.609 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.447 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 60.6 mt -87.82 75.85 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.577 0.704 . . . . 0.0 109.203 177.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.8 mmt -82.31 -9.13 59.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.793 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.588 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 39.1 m-20 -50.58 105.63 0.54 Allowed Pre-proline 0 C--O 1.223 -0.295 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.353 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 32.7 Cg_exo -60.96 -50.67 5.84 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.26 2.64 . . . . 0.0 114.097 -171.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 53.2 mt-30 -71.25 -36.13 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 59.1 m170 -66.19 -41.53 90.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.798 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HG2' HD23 ' A' ' 40' ' ' LEU . 51.1 mtp180 -53.61 -54.79 32.55 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.695 170.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.13 -43.23 61.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.399 -177.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 26.4 mtpt -68.54 -50.74 49.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.93 178.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 91.6 mt -54.83 -46.04 74.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.841 -177.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.527 HD11 ' N ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -67.09 -35.68 80.32 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.451 -179.018 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.527 HG21 ' O ' ' B' ' 53' ' ' LYS . 36.0 m -67.88 -41.01 83.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.164 0.506 . . . . 0.0 110.138 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.593 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.09 -45.78 93.3 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.048 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.72 92.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.981 177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -57.28 -55.29 36.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.29 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' B' ' 57' ' ' ALA . 11.3 mp -72.61 -26.88 61.85 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.742 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' O ' ' HB3' ' A' ' 65' ' ' ASP . 72.0 mt -73.94 -24.02 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.805 -0.559 . . . . 0.0 110.824 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 33' ' ' LYS . 45.7 tp -76.14 -33.69 59.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.788 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.465 ' OD1' ' HA3' ' B' ' 1' ' ' GLY . 35.1 t70 -103.72 -44.16 5.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.092 0.472 . . . . 0.0 112.019 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.689 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 86.6 m-85 -98.04 41.44 1.13 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.06 -173.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' A' ' 61' ' ' LEU . 15.8 p-10 -78.45 44.09 0.5 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.253 0.549 . . . . 0.0 111.385 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.1 p 48.64 33.25 4.03 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.274 -0.876 . . . . 0.0 112.579 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.21 36.34 3.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.066 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 81.3 m 61.6 176.81 0.12 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.078 0.466 . . . . 0.0 111.545 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.604 -0.713 . . . . 0.0 110.147 178.847 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.465 ' HA3' ' OD1' ' A' ' 63' ' ' ASP . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.497 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 19.8 Cg_exo -65.2 121.2 8.59 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.566 2.177 . . . . 0.0 112.146 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -106.05 -12.05 15.92 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.7 p -121.58 164.95 16.42 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.6 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.51 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.2 tm? -58.77 -53.48 57.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.858 -176.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.52 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 13.9 t60 -55.14 -43.57 74.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.607 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.58 -40.85 88.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.08 0.467 . . . . 0.0 110.957 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.45 HD21 HD11 ' A' ' 60' ' ' LEU . 2.6 tm? -68.11 -43.91 77.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.932 -178.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 5' ' ' LEU . 4.0 mm? -59.75 -40.41 88.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.611 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 49.7 mt-10 -63.39 -37.36 86.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.009 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -70.32 -44.26 68.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.018 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 56' ' ' THR . 43.0 pt -81.53 -13.73 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.152 -177.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.91 25.97 13.69 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.105 173.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.428 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.4 mm? -121.71 29.71 7.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.714 0.293 . . . . 0.0 110.775 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.43 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 9.9 pt-20 -59.97 -21.26 61.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.748 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.99 -23.02 67.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.15 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -109.14 3.9 22.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.626 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.43 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 24.9 m -53.02 -47.59 68.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.809 0.338 . . . . 0.0 111.042 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 10.8 m -60.54 -39.88 89.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.555 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 35.7 m -56.19 -49.61 73.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.597 177.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.1 mm? -61.66 -54.06 47.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.999 176.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' B' ' 27' ' ' GLN . 21.1 tp -51.15 -49.34 61.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.74 -177.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 19' ' ' SER . 98.2 mt -65.33 -35.27 80.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.381 -177.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -91.04 14.46 13.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.633 -175.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.83 -7.84 49.79 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.619 -0.801 . . . . 0.0 113.024 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 94.7 m-85 -87.35 75.68 9.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.594 0.712 . . . . 0.0 109.609 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' B' ' 22' ' ' LEU . 41.0 mt-30 -97.88 -18.85 18.46 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.536 -173.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 62.3 p -128.91 169.17 14.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.65 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.27 -25.05 65.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.404 0.621 . . . . 0.0 109.614 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.447 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 43.4 mt-10 -71.38 -24.94 62.17 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.527 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.463 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 50.1 m-20 -83.62 -46.32 12.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.31 0.576 . . . . 0.0 109.582 173.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -64.11 -25.23 68.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.177 -0.92 . . . . 0.0 112.078 -173.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 18.4 ptpt -67.02 -9.67 41.51 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.07 -0.394 . . . . 0.0 111.666 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -108.81 8.27 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.462 0.649 . . . . 0.0 110.278 176.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.551 HD11 HD11 ' B' ' 40' ' ' LEU . 3.2 tm? -71.3 126.05 28.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.616 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.488 ' C ' HD11 ' B' ' 55' ' ' LEU . 35.6 mmt180 -124.73 165.73 17.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.998 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.517 ' N ' HD11 ' B' ' 55' ' ' LEU . 44.2 tt0 -65.08 -37.3 87.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.997 0.427 . . . . 0.0 110.065 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 14.5 m -58.05 -31.25 66.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.986 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.754 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 26.5 m170 -75.97 -35.91 59.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.126 -179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.581 HD12 HD12 ' B' ' 43' ' ' LEU . 4.4 mp -63.93 -32.92 74.62 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.779 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.01 -41.73 83.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 172.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.01 -35.08 69.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.851 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 47.3 mt -80.22 -1.86 42.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.948 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 3.5 t30 67.84 20.98 9.22 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.52 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.449 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 61.1 mt -87.93 76.01 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 177.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 2.8 mmt -82.32 -9.42 59.48 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.865 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.597 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 34.0 m-20 -50.29 105.66 0.54 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.452 176.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.9 -50.91 5.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.373 2.716 . . . . 0.0 113.996 -171.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 53.6 mt-30 -71.41 -35.86 71.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.51 . . . . 0.0 110.037 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.597 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 59.0 m170 -66.28 -41.83 89.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.705 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.54 ' HG2' HD23 ' B' ' 40' ' ' LEU . 51.0 mtp180 -53.35 -54.76 31.96 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.731 170.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.527 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.02 -43.46 60.88 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.506 -177.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 26.3 mtpt -68.44 -50.7 50.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.914 178.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.3 mt -54.76 -46.14 74.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.924 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.517 HD11 ' N ' ' B' ' 37' ' ' GLU . 0.5 OUTLIER -67.1 -35.62 80.17 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.446 -179.099 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 53' ' ' LYS . 36.3 m -67.78 -41.17 83.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.18 0.515 . . . . 0.0 110.131 178.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.579 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.96 -45.87 93.02 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.016 176.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.65 93.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.921 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.43 -55.09 39.32 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.32 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.593 HD22 ' HA ' ' A' ' 57' ' ' ALA . 11.3 mp -72.55 -27.01 61.95 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.792 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 71.4 mt -73.85 -24.04 59.7 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.795 -0.566 . . . . 0.0 110.853 175.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.401 ' HA ' ' HB2' ' B' ' 33' ' ' LYS . 46.4 tp -76.22 -33.36 59.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.706 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.484 ' OD1' ' HA3' ' A' ' 1' ' ' GLY . 34.8 t70 -104.09 -44.24 5.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.242 0.544 . . . . 0.0 112.068 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.689 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 87.0 m-85 -97.89 41.51 1.12 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.003 -173.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . 0.503 ' HB3' ' O ' ' B' ' 61' ' ' LEU . 14.3 p-10 -78.58 44.17 0.51 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.342 0.591 . . . . 0.0 111.435 -176.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 p 48.53 33.48 4.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.462 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.08 36.4 3.4 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.181 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.4 m 61.55 176.5 0.12 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.822 0.449 . . . . 0.0 111.516 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.126 178.471 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.491 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 15.7 Cg_exo -67.93 103.11 0.83 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.302 2.001 . . . . 0.0 112.037 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -87.14 -18.72 29.77 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.713 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 p -123.81 165.02 18.04 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.824 -177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.3 tm? -60.02 -47.26 86.57 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.857 -176.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -52.2 -41.44 62.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.039 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.6 -32.21 67.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.641 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.531 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.8 tm? -70.04 -38.1 75.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.537 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -61.66 -36.64 81.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.09 -32.0 71.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.929 0.395 . . . . 0.0 110.39 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -38.78 92.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.973 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.557 ' CG2' HG23 ' B' ' 56' ' ' THR . 38.0 pt -98.06 -12.96 8.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.899 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.33 31.93 11.1 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.71 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.3 mm? -122.67 31.45 6.08 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 120.814 0.34 . . . . 0.0 110.757 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.533 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 15.1 pt-20 -61.02 -17.05 50.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.511 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.4 -22.91 65.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.962 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -117.52 11.69 13.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.652 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 26.4 m -54.97 -47.76 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.777 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.4 p -61.66 -36.8 81.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.626 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.415 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 24.4 m -57.05 -53.07 62.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.298 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -63.02 -52.39 63.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.185 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 27' ' ' GLN . 18.8 tp -53.34 -47.39 69.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.844 -175.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.9 mt -71.72 -29.41 64.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.675 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -89.78 9.74 26.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.993 0.425 . . . . 0.0 111.564 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.36 -7.27 39.88 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.066 171.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 85.0 m-85 -87.18 80.32 8.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.348 0.594 . . . . 0.0 109.722 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.408 ' HA ' HD12 ' A' ' 22' ' ' LEU . 69.5 mt-30 -104.0 -22.35 13.47 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.03 -173.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -122.62 168.29 12.36 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.403 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.91 -28.51 68.99 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.433 0.635 . . . . 0.0 109.665 176.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.7 -26.36 64.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.892 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -80.62 -47.75 13.65 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.539 ' CD2' HD21 ' A' ' 5' ' ' LEU . 48.6 t80 -63.18 -27.51 69.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.024 -173.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -66.71 -8.71 29.85 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.992 -0.443 . . . . 0.0 111.446 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -106.04 5.12 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.349 0.595 . . . . 0.0 110.16 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD11 HD11 ' A' ' 40' ' ' LEU . 2.2 tm? -74.78 115.75 14.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.023 177.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -119.56 166.17 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 -174.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.715 ' N ' HD11 ' A' ' 55' ' ' LEU . 34.4 tt0 -61.25 -40.63 94.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.885 0.374 . . . . 0.0 111.071 -173.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.6 m -59.55 -26.94 65.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.473 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.747 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.0 m170 -76.93 -34.93 57.63 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.76 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.703 HD11 HD11 ' A' ' 35' ' ' LEU . 8.7 mp -63.59 -31.61 72.83 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.603 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.682 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 95.5 m-20 -61.76 -34.0 75.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.895 174.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -77.89 -37.05 48.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.317 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 50.8 mt -76.36 -8.34 56.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.13 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 t30 68.77 24.66 6.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.378 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -84.89 81.97 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.358 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.682 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 32.1 mmt -93.75 11.31 29.59 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.236 -174.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.551 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 38.6 m-20 -77.09 101.86 0.71 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.792 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.44 -56.36 2.95 Favored 'Trans proline' 0 N--CA 1.474 0.369 0 C-N-CA 123.277 2.651 . . . . 0.0 114.242 -166.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.4 mt-30 -68.8 -33.06 73.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.233 0.539 . . . . 0.0 110.297 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 24.9 m170 -68.58 -36.53 78.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.861 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 47' ' ' ASP . 48.2 mtp180 -57.66 -53.0 63.14 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.565 171.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.553 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.92 -41.6 67.85 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.465 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.618 ' O ' HG21 ' B' ' 56' ' ' THR . 28.8 mtpt -65.37 -51.7 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.727 177.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.4 mt -53.97 -46.26 71.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.491 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.715 HD11 ' N ' ' A' ' 37' ' ' GLU . 2.8 mm? -61.11 -45.22 95.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.315 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.621 HG21 ' O ' ' B' ' 53' ' ' LYS . 42.2 m -61.73 -40.82 96.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -178.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.598 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.09 -44.03 95.08 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.014 176.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.35 95.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 6.5 mm-40 -57.31 -48.36 79.13 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.634 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.597 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.8 mp -71.62 -48.86 45.16 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.654 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.531 HD11 ' HG ' ' A' ' 8' ' ' LEU . 85.0 mt -56.82 -28.22 61.18 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.861 0.363 . . . . 0.0 111.566 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.6 -35.92 77.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.701 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -108.41 -33.14 7.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.33 0.586 . . . . 0.0 111.575 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.497 ' OH ' ' HB2' ' B' ' 2' ' ' PRO . 97.5 m-85 -106.05 38.75 1.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.143 -171.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.91 42.81 0.48 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.376 0.608 . . . . 0.0 111.034 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 p 49.38 36.0 8.96 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.979 0.911 . . . . 0.0 113.146 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.09 37.84 2.99 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.347 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.1 m 63.22 163.79 0.11 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.413 0.625 . . . . 0.0 111.963 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.652 -177.592 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 CA-C-O 119.741 -0.477 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.497 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 15.5 Cg_exo -67.97 103.55 0.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.278 1.986 . . . . 0.0 111.886 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -87.43 -18.78 29.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.789 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.8 p -124.0 165.0 18.2 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.812 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.3 tm? -60.41 -46.97 88.08 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.838 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.405 ' CG ' HG21 ' B' ' 18' ' ' THR . 3.0 t-80 -52.45 -41.17 63.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.99 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.71 -32.49 67.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.545 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.538 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.8 tm? -69.72 -38.19 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.464 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.527 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -61.61 -36.63 81.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.15 -32.0 71.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.971 0.415 . . . . 0.0 110.485 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.76 92.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.552 ' CG2' HG23 ' A' ' 56' ' ' THR . 37.8 pt -98.01 -13.11 8.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.878 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.39 31.8 11.21 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.73 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.527 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.3 mm? -122.8 31.57 6.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.889 0.376 . . . . 0.0 110.691 178.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.526 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 15.2 pt-20 -60.83 -16.94 46.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.49 177.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.13 -22.18 65.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.11 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -117.9 11.56 13.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.584 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.526 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 26.2 m -54.88 -47.53 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.788 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 20.0 p -61.97 -36.54 81.75 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.629 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 24.1 m -57.16 -53.19 60.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.336 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -63.01 -52.19 63.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.228 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 tp -53.55 -47.29 70.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.784 -175.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 19' ' ' SER . 91.6 mt -71.78 -29.71 64.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.595 -177.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -89.49 9.68 25.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.97 0.414 . . . . 0.0 111.507 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.43 -6.96 39.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.077 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 85.2 m-85 -87.39 80.42 8.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.344 0.592 . . . . 0.0 109.706 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -103.99 -22.65 13.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.029 -173.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -122.41 167.85 12.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.393 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.54 -28.57 69.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.459 0.647 . . . . 0.0 109.693 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.69 -26.34 64.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.89 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 44.7 m-20 -80.68 -47.99 13.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.356 0.598 . . . . 0.0 109.569 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' PHE . . . . . 0.545 ' CD2' HD21 ' B' ' 5' ' ' LEU . 48.2 t80 -62.9 -27.42 69.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.021 -173.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.86 -9.04 33.45 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.359 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -105.72 5.26 30.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.431 0.634 . . . . 0.0 110.283 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 40' ' ' LEU . 2.2 tm? -74.98 116.05 15.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.955 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -119.85 166.16 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.02 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.714 ' N ' HD11 ' B' ' 55' ' ' LEU . 34.1 tt0 -61.23 -40.75 95.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.909 0.385 . . . . 0.0 111.108 -173.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 51.2 m -59.51 -26.65 65.48 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.464 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.737 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 23.1 m170 -77.22 -35.09 55.85 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.693 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 35' ' ' LEU . 8.7 mp -63.43 -31.59 72.79 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.812 0.339 . . . . 0.0 110.69 177.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASN . . . . . 0.712 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 95.5 m-20 -61.85 -33.99 75.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.832 174.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -77.98 -36.98 48.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.251 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 49.3 mt -76.46 -8.19 56.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.226 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 t30 68.68 24.74 6.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.373 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.6 mt -85.06 82.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.251 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.712 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 31.9 mmt -93.66 10.95 30.69 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.166 -174.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 35.1 m-20 -76.55 101.62 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.807 176.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.31 -56.15 3.16 Favored 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 123.252 2.635 . . . . 0.0 114.293 -166.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.55 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 52.4 mt-30 -69.27 -32.8 72.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.268 0.556 . . . . 0.0 110.214 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.532 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 24.9 m170 -68.59 -36.72 79.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.823 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' B' ' 47' ' ' ASP . 49.3 mtp180 -57.51 -52.99 63.13 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.624 171.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.56 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -54.0 -41.68 68.23 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.348 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.621 ' O ' HG21 ' A' ' 56' ' ' THR . 28.8 mtpt -65.29 -51.68 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.789 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -54.03 -46.17 71.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.513 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.714 HD11 ' N ' ' B' ' 37' ' ' GLU . 2.8 mm? -61.19 -45.21 95.55 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.202 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.618 HG21 ' O ' ' A' ' 53' ' ' LYS . 41.6 m -61.8 -40.79 96.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.597 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.18 -44.01 95.4 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.004 176.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.6 95.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 6.3 mm-40 -56.93 -48.65 77.78 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.542 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.8 mp -71.44 -48.99 46.01 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.635 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.538 HD11 ' HG ' ' B' ' 8' ' ' LEU . 84.2 mt -56.86 -28.11 61.28 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.53 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.77 -35.81 77.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.71 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -108.28 -33.3 7.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.603 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' TYR . . . . . 0.491 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 97.5 m-85 -105.82 38.62 1.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.152 -171.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.9 42.5 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.321 0.581 . . . . 0.0 111.05 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.1 p 49.55 36.18 9.84 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.158 0.983 . . . . 0.0 113.012 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.3 37.66 3.02 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.36 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 93.4 m 63.62 163.92 0.12 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.234 0.614 . . . . 0.0 111.916 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.905 -0.569 . . . . 0.0 110.443 -178.229 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.5 126.52 10.99 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.787 2.325 . . . . 0.0 112.011 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -108.56 -10.0 15.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.9 p -130.53 169.07 16.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.353 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.458 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.4 tm? -60.85 -51.19 70.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -176.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.47 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 42.4 t60 -54.82 -44.7 74.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.473 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.52 -36.41 82.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.48 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -66.28 -44.28 84.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.007 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -60.84 -39.56 89.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.501 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 48.4 mt-10 -65.55 -37.57 87.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.042 0.448 . . . . 0.0 110.486 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -41.37 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.34 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.491 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.4 pt -92.68 -15.58 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.906 -177.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.97 24.41 15.2 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.905 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.4 mm? -119.28 30.27 7.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.974 0.416 . . . . 0.0 110.113 177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 9' ' ' LEU . 11.3 pt-20 -57.35 -21.26 34.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.771 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.39 -21.05 65.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.512 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -115.86 14.41 16.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.86 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.8 m -55.79 -45.91 78.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.183 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 22.0 t -64.27 -35.82 82.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.26 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 m -57.51 -52.27 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.211 0.529 . . . . 0.0 110.072 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.4 mm? -63.71 -49.87 71.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.97 177.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.32 -48.94 65.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.69 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 19' ' ' SER . 88.9 mt -67.43 -31.48 71.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.387 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -92.25 13.71 18.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.045 0.45 . . . . 0.0 111.524 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.34 -12.56 58.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.74 171.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.527 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 91.0 m-85 -82.78 70.82 9.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 109.651 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -100.45 -7.87 23.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.507 -174.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.5 p -132.4 162.88 29.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.168 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.52 -28.78 67.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.372 0.606 . . . . 0.0 109.49 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.539 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 1.4 mp0 -68.23 -28.86 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.204 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -89.33 -39.95 13.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 109.943 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.9 -29.47 70.64 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.7 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 15.0 ptpt -65.78 -5.33 8.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.166 -0.333 . . . . 0.0 111.482 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -106.67 6.02 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 109.871 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -74.63 126.66 31.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.222 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' A' ' 35' ' ' LEU . 21.6 mmt180 -128.75 171.4 12.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.543 ' HB2' HD21 ' A' ' 55' ' ' LEU . 43.6 tt0 -60.85 -43.17 98.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.789 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -56.68 -28.92 61.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.474 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.745 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 46.7 m170 -79.03 -29.78 43.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.845 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.629 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 7.2 mp -71.07 -26.64 63.16 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 176.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.729 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 82.2 m-20 -60.1 -35.68 75.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -77.35 -34.14 55.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.547 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 45.2 mt -80.58 -6.46 58.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.112 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 67.74 31.05 6.11 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.559 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -101.31 82.65 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.771 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.729 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 31.3 mmt -86.07 -10.47 54.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.118 -177.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 20.0 m-20 -60.61 110.62 3.07 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.463 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 37.1 Cg_exo -56.85 -49.26 15.06 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.059 3.173 . . . . 0.0 114.129 -170.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.652 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 46.6 mt-30 -68.09 -38.8 82.74 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 19.6 m170 -64.34 -40.86 96.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.629 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 46.0 mtp180 -57.12 -56.91 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.59 172.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' B' ' 52' ' ' ALA . . . -54.55 -41.14 69.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.54 -176.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.652 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 26.2 mtpt -67.84 -53.29 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.227 -0.189 . . . . 0.0 111.013 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.452 HD12 HD21 ' A' ' 40' ' ' LEU . 86.1 mt -55.18 -43.89 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.165 0.507 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -64.18 -49.62 71.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.726 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.555 HG21 ' O ' ' B' ' 53' ' ' LYS . 58.7 m -61.72 -39.14 90.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.133 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.611 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -59.17 -48.69 80.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.809 176.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.64 91.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.299 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 24.3 mm-40 -58.67 -54.58 45.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.376 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD22 ' HA ' ' B' ' 57' ' ' ALA . 6.8 mp -65.31 -44.63 87.25 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.731 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD11 ' HG ' ' A' ' 8' ' ' LEU . 91.2 mt -61.09 -21.94 64.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.896 0.379 . . . . 0.0 111.732 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.15 -30.62 68.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.303 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -107.52 -37.28 6.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.789 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -104.81 44.28 1.04 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.379 -174.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.63 57.79 2.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.187 0.518 . . . . 0.0 111.043 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 p 48.42 41.71 17.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.548 -174.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.58 135.27 12.5 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.1 m -58.9 148.72 29.23 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -176.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.248 1.013 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.423 179.78 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.58 126.6 10.99 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.795 2.33 . . . . 0.0 111.854 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -108.61 -10.16 15.24 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 23.5 p -130.31 169.19 15.77 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.354 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -60.77 -51.21 70.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.988 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.469 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 43.2 t60 -54.93 -44.6 74.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.392 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.43 -36.56 82.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.666 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.528 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -66.28 -44.19 84.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.986 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -60.97 -39.52 89.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.477 177.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 48.6 mt-10 -65.55 -37.59 87.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.539 176.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.27 97.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.307 -177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' A' ' 56' ' ' THR . 39.7 pt -92.86 -15.55 8.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.912 -177.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.11 24.18 15.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.009 175.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.476 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.4 mm? -119.09 30.35 7.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.917 0.389 . . . . 0.0 110.158 177.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.449 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 11.3 pt-20 -57.34 -21.67 36.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.891 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.97 -21.33 64.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.422 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -115.61 14.31 16.48 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.919 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.4 m -55.63 -46.12 77.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.05 0.453 . . . . 0.0 110.196 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.573 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 22.5 t -64.21 -35.75 81.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.248 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -57.59 -52.3 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.107 0.479 . . . . 0.0 110.109 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.4 mm? -63.48 -50.04 71.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.969 177.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.3 -48.89 65.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.732 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.5 mt -67.44 -31.41 71.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.442 -177.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -92.26 12.96 20.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.0 0.428 . . . . 0.0 111.561 -175.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.24 57.72 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.832 171.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.534 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 91.4 m-85 -83.11 70.74 10.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.389 0.614 . . . . 0.0 109.6 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -100.25 -8.02 23.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.447 -174.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 70.5 p -132.5 162.89 30.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.961 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.47 -29.02 67.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.326 0.584 . . . . 0.0 109.449 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.545 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 1.3 mp0 -68.22 -28.69 67.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.314 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -89.34 -40.17 12.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.077 0.465 . . . . 0.0 109.935 176.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -63.62 -29.7 70.91 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.714 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.545 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 15.0 ptpt -65.62 -5.48 8.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.144 -0.348 . . . . 0.0 111.376 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -106.54 5.79 29.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.578 0.704 . . . . 0.0 109.89 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.597 HD11 HD11 ' B' ' 40' ' ' LEU . 3.3 tm? -74.28 126.87 31.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.257 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.525 ' HD3' ' O ' ' B' ' 35' ' ' LEU . 21.5 mmt180 -129.15 171.08 12.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.638 -177.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.569 ' HB2' HD21 ' B' ' 55' ' ' LEU . 43.1 tt0 -60.54 -43.26 97.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.972 0.415 . . . . 0.0 110.773 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m -56.48 -28.89 60.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.649 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' HIS . . . . . 0.744 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 47.4 m170 -78.85 -30.15 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.854 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.633 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 7.3 mp -70.91 -26.76 63.35 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 176.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASN . . . . . 0.716 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 82.0 m-20 -59.91 -35.42 74.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.636 0.731 . . . . 0.0 109.071 171.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.08 -33.5 50.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.496 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 46.3 mt -80.97 -6.6 58.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.062 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.03 31.05 5.69 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.365 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.8 mt -101.17 82.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.851 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' MET . . . . . 0.716 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 31.4 mmt -86.13 -10.2 55.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.074 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 19.0 m-20 -60.85 110.58 3.08 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.345 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 36.6 Cg_exo -56.7 -49.24 15.28 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.96 3.107 . . . . 0.0 114.216 -170.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.656 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 46.5 mt-30 -68.16 -38.64 82.34 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.083 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 19.7 m170 -64.53 -40.71 96.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.633 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 46.3 mtp180 -57.19 -56.82 16.81 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.562 172.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . . . -54.62 -41.16 69.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.51 -176.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 26.3 mtpt -67.94 -53.11 28.75 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.256 -0.178 . . . . 0.0 110.988 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LEU . . . . . 0.471 HD12 HD21 ' B' ' 40' ' ' LEU . 86.0 mt -55.4 -43.76 75.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.604 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.2 OUTLIER -64.24 -49.58 71.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.851 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.571 HG21 ' O ' ' A' ' 53' ' ' LYS . 59.1 m -61.68 -39.07 90.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.002 0.43 . . . . 0.0 111.139 -178.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.18 -48.7 80.64 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.782 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.39 90.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.265 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 23.5 mm-40 -58.77 -54.55 45.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.434 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.611 HD22 ' HA ' ' A' ' 57' ' ' ALA . 6.7 mp -65.43 -44.52 87.06 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.698 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.528 HD11 ' HG ' ' B' ' 8' ' ' LEU . 91.5 mt -61.18 -21.78 64.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.839 0.352 . . . . 0.0 111.685 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 35.2 tp -69.16 -30.82 69.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.201 0.524 . . . . 0.0 110.285 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -107.33 -37.54 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.755 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -104.7 44.26 1.04 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.349 -174.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -78.59 57.9 2.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.294 0.569 . . . . 0.0 111.03 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.4 p 48.2 41.58 16.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.634 -174.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.44 135.24 12.5 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 40.0 m -59.08 148.49 30.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.634 0.254 . . . . 0.0 111.587 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.569 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 N--CA 1.46 -0.457 0 CA-C-O 120.864 0.276 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.36 -12.55 12.38 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 p -126.53 167.79 15.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.626 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.77 -52.01 67.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.321 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.524 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 11.4 t-80 -51.49 -46.49 63.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.681 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.53 -33.87 76.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.986 0.422 . . . . 0.0 110.998 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.689 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.8 tm? -68.33 -42.0 79.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.104 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.5 mm? -62.18 -38.42 89.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.281 176.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 45.0 mt-10 -64.94 -33.33 75.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.221 0.534 . . . . 0.0 110.464 176.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.596 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -66.43 -42.27 87.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.467 -176.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.527 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.0 pt -94.51 -9.13 9.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.023 -175.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.18 22.21 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.7 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.7 mm? -121.2 29.69 7.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.694 0.283 . . . . 0.0 110.564 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.4 pt-20 -63.51 -14.18 48.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.008 0.432 . . . . 0.0 110.492 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.55 -23.29 66.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.573 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -114.25 9.5 17.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.739 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 24.1 m -54.89 -46.12 74.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 110.405 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.591 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.0 m -62.81 -38.68 91.64 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.189 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -57.05 -51.53 68.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.059 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.8 mm? -59.73 -52.88 63.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.028 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 tp -53.57 -47.91 69.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.489 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 19' ' ' SER . 95.5 mt -67.88 -28.23 67.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.342 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.426 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 30.6 m-80 -93.21 12.39 24.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -178.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.68 1.54 57.55 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.025 171.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.502 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 99.1 m-85 -92.94 85.39 5.13 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.326 0.584 . . . . 0.0 109.599 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.73 -17.84 14.26 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.593 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.8 p -127.58 167.67 16.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.738 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.71 -27.49 67.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 43.5 mt-10 -69.45 -27.73 65.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.651 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -81.11 -45.89 15.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.302 0.572 . . . . 0.0 109.766 174.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.523 ' HD1' HD12 ' A' ' 61' ' ' LEU . 43.0 t80 -65.46 -29.94 70.67 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.743 -174.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.8 ptpt -65.43 -9.98 30.02 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.115 -0.366 . . . . 0.0 111.08 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -100.02 -4.5 29.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.135 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.5 tm? -67.53 126.62 29.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.303 -177.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 36' ' ' ARG . 30.9 mmt180 -126.11 169.86 12.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.297 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.58 -41.28 96.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.186 0.517 . . . . 0.0 109.994 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 7.9 m -58.57 -25.24 62.32 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.297 177.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.406 ' O ' HD13 ' A' ' 43' ' ' LEU . 34.9 m170 -79.07 -40.7 30.55 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.486 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -59.6 -31.82 69.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.723 175.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 38' ' ' THR . 7.4 m-20 -56.49 -41.84 77.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.203 171.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.03 -41.06 62.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.794 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' CG ' ' A' ' 24' ' ' ASN . 10.8 mp -73.68 -5.7 42.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.11 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.48 29.92 10.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.391 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.539 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 65.6 mt -93.32 79.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.792 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.9 mmt -88.32 1.54 54.39 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.352 -176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.619 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 71.2 m-20 -59.05 102.78 0.32 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.446 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 41.2 Cg_exo -54.48 -56.45 2.48 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.897 2.398 . . . . 0.0 114.226 -165.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 43.3 mt-30 -72.57 -32.14 65.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.912 0.387 . . . . 0.0 110.707 -178.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.619 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 51.3 m170 -64.82 -41.31 95.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.593 ' O ' HD22 ' A' ' 55' ' ' LEU . 39.4 mtp180 -53.54 -56.36 17.75 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.98 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.468 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.6 -42.33 61.88 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.25 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.601 ' O ' HG21 ' B' ' 56' ' ' THR . 31.0 mtpt -65.73 -52.72 48.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -53.87 -45.69 71.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.439 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.654 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.45 -47.03 83.56 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.987 -179.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.589 HG21 ' O ' ' B' ' 53' ' ' LYS . 45.1 m -61.24 -40.86 95.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.112 0.482 . . . . 0.0 110.972 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.643 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -59.62 -45.81 90.85 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.973 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.26 94.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.248 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 8.6 mm-40 -58.3 -53.02 62.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.356 0.598 . . . . 0.0 110.215 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.644 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.3 mp -69.67 -38.76 77.17 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.974 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.689 HD11 ' HG ' ' A' ' 8' ' ' LEU . 56.4 mt -63.35 -23.99 67.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 118.267 0.485 . . . . 0.0 111.375 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.572 HD23 ' NH2' ' B' ' 11' ' ' ARG . 30.2 tp -72.66 -28.3 62.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.731 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -110.45 -37.67 5.43 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.314 -174.608 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo . . . . . 0 N--CA 1.459 -0.545 0 CA-C-O 120.854 0.273 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.27 -12.2 12.48 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 33.5 p -126.88 167.66 15.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.599 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.45 -52.0 67.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.515 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.525 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 11.3 t-80 -51.62 -46.36 63.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.693 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -64.53 -33.97 77.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.0 0.429 . . . . 0.0 110.954 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.723 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.8 tm? -68.2 -41.93 80.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.144 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.451 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.5 mm? -62.4 -38.32 89.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.267 176.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 45.1 mt-10 -64.66 -34.05 77.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.572 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.68 -42.7 90.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.611 -176.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.524 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.2 pt -93.89 -9.92 9.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.927 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.07 28.5 20.48 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.657 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.451 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.7 mm? -121.46 30.01 6.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.629 0.252 . . . . 0.0 110.582 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.463 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.6 pt-20 -63.58 -14.47 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.961 0.41 . . . . 0.0 110.411 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.12 -23.53 66.6 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.656 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -114.24 9.45 17.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.695 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.463 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 24.1 m -54.75 -46.22 74.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.332 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.585 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 13.1 m -62.72 -38.92 92.38 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.23 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -56.83 -51.6 68.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.2 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.8 mm? -59.75 -52.65 64.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.122 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 tp -53.79 -47.73 70.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.532 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' B' ' 19' ' ' SER . 95.5 mt -67.85 -28.36 67.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.365 -177.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.428 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 30.6 m-80 -93.26 12.51 24.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.209 0.528 . . . . 0.0 111.172 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.74 1.3 57.51 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.082 171.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 98.7 m-85 -92.7 85.57 5.28 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.371 0.605 . . . . 0.0 109.687 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.91 -17.46 14.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.468 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 65.7 p -127.89 167.36 16.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.91 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.38 -27.98 68.28 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.414 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 43.2 mt-10 -69.15 -27.71 65.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.576 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -81.16 -45.63 16.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.515 ' HD1' HD12 ' B' ' 61' ' ' LEU . 43.1 t80 -65.72 -30.04 70.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.792 -174.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.9 ptpt -65.39 -9.85 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.034 -0.416 . . . . 0.0 111.135 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -100.05 -4.44 29.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.313 0.578 . . . . 0.0 110.084 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.5 tm? -67.81 126.49 29.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.291 -177.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -126.17 169.86 12.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.265 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.61 -41.15 96.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.129 0.49 . . . . 0.0 109.93 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' B' ' 41' ' ' ASN . 8.3 m -58.89 -25.09 63.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.396 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -79.07 -40.83 30.22 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.419 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.558 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 0.2 OUTLIER -59.5 -31.98 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.748 175.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' B' ' 38' ' ' THR . 7.2 m-20 -56.68 -41.38 77.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.155 171.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -74.59 -40.57 61.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.792 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.428 ' HG ' ' CG ' ' B' ' 24' ' ' ASN . 10.8 mp -74.18 -5.32 41.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.946 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 65.49 29.42 11.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.327 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.558 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 65.7 mt -92.87 79.38 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 2.8 mmt -88.22 1.19 55.02 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.337 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.621 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 71.1 m-20 -58.77 102.83 0.32 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.531 177.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.449 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 45.1 Cg_exo -54.22 -56.47 2.52 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.922 2.414 . . . . 0.0 114.279 -165.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.57 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 43.1 mt-30 -72.87 -32.23 65.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.847 0.356 . . . . 0.0 110.57 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.621 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 51.2 m170 -64.67 -41.29 96.18 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.591 ' O ' HD22 ' B' ' 55' ' ' LEU . 39.6 mtp180 -53.77 -56.16 19.99 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.032 172.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.469 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.7 -42.33 62.13 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.242 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.589 ' O ' HG21 ' A' ' 56' ' ' THR . 31.0 mtpt -65.72 -52.67 49.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.714 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.6 mt -53.9 -45.6 71.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.468 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -63.47 -47.01 83.56 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.965 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.601 HG21 ' O ' ' A' ' 53' ' ' LYS . 46.2 m -61.38 -40.72 95.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.644 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.57 -45.9 90.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.979 176.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.5 94.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.254 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 8.4 mm-40 -58.28 -53.0 63.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 110.193 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.3 mp -69.76 -38.61 76.83 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.968 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.723 HD11 ' HG ' ' B' ' 8' ' ' LEU . 56.7 mt -63.39 -24.19 67.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.344 0.52 . . . . 0.0 111.371 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.596 HD23 ' NH2' ' A' ' 11' ' ' ARG . 29.8 tp -72.46 -28.61 63.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -110.45 -36.91 5.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 C--N 1.319 -0.742 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.283 -174.858 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.606 ' HD3' ' OD1' ' B' ' 63' ' ' ASP . 13.1 Cg_exo . . . . . 0 N--CA 1.459 -0.528 0 CA-C-O 120.936 0.306 . . . . 0.0 111.88 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -93.01 -18.24 22.92 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.678 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.43 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 36.2 p -122.14 166.98 13.72 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.025 -177.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.0 tm? -59.54 -51.76 68.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.74 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -52.58 -45.9 66.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.784 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 33.7 mm-40 -67.39 -31.93 72.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 -175.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -70.24 -42.76 71.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.385 178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.2 mm? -61.85 -37.23 83.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.028 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.24 -30.77 68.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.014 0.435 . . . . 0.0 110.891 176.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 8' ' ' LEU . 17.3 tpp180 -64.82 -40.8 95.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.662 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.479 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.9 pt -94.98 -12.66 8.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -176.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.19 28.75 14.08 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.99 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.8 mm? -123.38 33.13 5.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.657 0.265 . . . . 0.0 110.664 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.8 pt-20 -58.49 -18.67 30.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.55 176.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 10.9 pt-20 -61.61 -19.99 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.414 174.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.452 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 88.7 m-70 -117.0 6.58 12.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.7 m -55.67 -45.57 77.7 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.178 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.566 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.4 t -63.62 -39.84 95.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.979 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.6 m -56.0 -52.46 64.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.943 0.402 . . . . 0.0 110.557 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.3 mm? -62.5 -50.36 71.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.091 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 27' ' ' GLN . 13.5 tp -54.01 -44.84 71.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.519 -176.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 19' ' ' SER . 88.0 mt -74.8 -22.44 58.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.578 -177.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -98.81 11.04 39.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.926 0.393 . . . . 0.0 111.646 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.98 -8.91 54.65 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.866 172.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.2 m-85 -87.2 76.67 9.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.351 0.596 . . . . 0.0 109.684 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' HA ' HD12 ' A' ' 22' ' ' LEU . 60.8 mt-30 -103.79 -11.81 17.33 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.876 -173.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -128.41 166.85 17.91 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.163 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.4 mt -68.36 -26.54 65.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.48 0.657 . . . . 0.0 109.483 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.22 -29.05 68.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.096 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 58.1 m-20 -81.93 -42.74 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.05 175.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.449 ' HD1' HD12 ' A' ' 61' ' ' LEU . 42.3 t80 -64.72 -27.16 68.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.973 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -70.92 -12.42 61.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.219 0.533 . . . . 0.0 110.68 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -96.89 -0.15 48.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.708 0.766 . . . . 0.0 109.577 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.58 HD11 HD11 ' A' ' 40' ' ' LEU . 3.2 tm? -75.48 122.74 24.3 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.853 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.492 ' C ' HD11 ' A' ' 55' ' ' LEU . 34.2 mmt180 -120.05 164.79 15.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.702 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.594 ' N ' HD11 ' A' ' 55' ' ' LEU . 30.3 tt0 -67.01 -36.85 83.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.071 0.462 . . . . 0.0 110.354 -175.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -60.06 -26.03 65.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.051 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.785 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 25.3 m170 -76.72 -35.63 57.68 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.58 HD11 HD11 ' A' ' 35' ' ' LEU . 6.1 mp -64.23 -34.82 78.98 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.589 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -55.47 -36.79 66.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.856 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.47 -38.86 48.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.7 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 37.2 mt -76.56 -2.35 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.09 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.6 t30 70.38 19.0 6.56 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.987 0.899 . . . . 0.0 110.473 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.449 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 57.4 mt -88.33 75.71 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.482 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 0.8 OUTLIER -87.21 -6.92 58.41 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.475 -176.019 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 10.8 m-20 -57.54 104.95 0.46 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.365 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 44.9 Cg_exo -56.71 -51.29 9.38 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 124.08 3.187 . . . . 0.0 114.489 -169.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 48.2 mt-30 -69.09 -36.21 77.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.21 0.529 . . . . 0.0 110.317 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 16.1 m170 -68.69 -37.58 79.67 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.256 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.541 ' HG2' HD23 ' A' ' 40' ' ' LEU . 50.5 mtp180 -57.86 -55.62 32.53 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.956 170.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.495 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -49.88 -42.6 48.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.466 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.568 ' O ' HG21 ' B' ' 56' ' ' THR . 27.9 mtpt -66.73 -51.22 58.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.896 177.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.411 HD12 HD21 ' A' ' 40' ' ' LEU . 91.3 mt -54.33 -45.51 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.775 -178.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.594 HD11 ' N ' ' A' ' 37' ' ' GLU . 2.0 mm? -68.69 -36.71 78.84 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.701 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.557 HG21 ' O ' ' B' ' 53' ' ' LYS . 48.9 m -65.03 -40.38 94.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.265 0.555 . . . . 0.0 110.008 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.634 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -62.43 -46.63 87.68 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.248 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.74 89.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.02 -49.81 76.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.613 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.648 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.9 mp -73.33 -27.69 61.65 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.901 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD11 ' HG ' ' A' ' 8' ' ' LEU . 61.2 mt -72.02 -27.31 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.672 -0.642 . . . . 0.0 110.031 173.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.52 -37.75 65.54 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.684 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.602 ' OD1' ' HD3' ' B' ' 2' ' ' PRO . 0.6 OUTLIER -101.07 -37.64 8.51 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.421 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 90.1 m-85 . . . . . 0 C--N 1.324 -0.526 0 CA-C-O 121.054 0.454 . . . . 0.0 110.305 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.602 ' HD3' ' OD1' ' A' ' 63' ' ' ASP . 13.0 Cg_exo . . . . . 0 N--CA 1.461 -0.433 0 CA-C-O 120.982 0.326 . . . . 0.0 111.953 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -92.76 -18.16 23.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.785 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.439 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 36.6 p -121.9 167.18 13.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.125 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.486 ' O ' HD23 ' B' ' 9' ' ' LEU . 1.9 tm? -59.64 -51.69 68.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.735 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -52.71 -45.87 67.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.738 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.439 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 34.4 mm-40 -67.35 -31.93 72.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.593 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.622 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -70.29 -42.81 71.55 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.265 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.543 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.2 mm? -61.89 -37.14 83.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.45 -30.64 68.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' B' ' 8' ' ' LEU . 17.3 tpp180 -64.72 -41.26 96.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.577 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.481 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.7 pt -94.36 -13.22 8.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.18 29.41 12.62 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.84 174.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.543 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -123.69 33.13 5.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.783 0.325 . . . . 0.0 110.669 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.7 pt-20 -58.42 -18.77 30.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.581 176.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.448 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 10.7 pt-20 -61.69 -19.78 62.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.46 174.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.448 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 88.3 m-70 -117.09 6.61 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 10.0 m -55.58 -45.61 77.34 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.156 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 27.2 t -63.82 -39.7 94.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.964 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.1 m -55.75 -52.64 63.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 0.0 110.62 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.515 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.3 mm? -62.57 -50.23 72.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.13 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' B' ' 27' ' ' GLN . 13.5 tp -54.27 -44.23 71.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.628 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.5 mt -75.07 -23.07 57.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.513 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -98.56 11.35 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.983 0.421 . . . . 0.0 111.485 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.86 -9.01 54.96 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.887 172.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.515 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.1 m-85 -87.1 76.49 9.28 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.381 0.61 . . . . 0.0 109.658 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.437 ' HA ' HD12 ' B' ' 22' ' ' LEU . 60.7 mt-30 -103.66 -11.66 17.52 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.86 -173.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 60.3 p -128.65 167.02 17.79 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.242 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt -68.56 -26.73 65.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.11 -28.98 68.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.156 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.446 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 56.3 m-20 -81.86 -42.79 19.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.918 175.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.452 ' HD1' HD12 ' B' ' 61' ' ' LEU . 42.5 t80 -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.988 -174.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -70.91 -12.53 61.59 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.911 -0.493 . . . . 0.0 110.614 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -96.77 -0.27 48.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.638 0.732 . . . . 0.0 109.584 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.559 HD11 HD11 ' B' ' 40' ' ' LEU . 3.2 tm? -75.4 122.66 24.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.803 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.485 ' C ' HD11 ' B' ' 55' ' ' LEU . 34.5 mmt180 -119.99 164.92 15.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.697 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.588 ' N ' HD11 ' B' ' 55' ' ' LEU . 30.6 tt0 -67.07 -36.87 82.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.145 0.498 . . . . 0.0 110.439 -175.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -60.15 -25.97 65.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.052 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.773 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 25.1 m170 -76.59 -35.86 57.89 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.237 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' B' ' 51' ' ' ARG . 6.1 mp -64.05 -34.88 79.02 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 175.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.55 -36.72 67.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.859 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -77.59 -38.58 47.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.702 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 37.6 mt -76.58 -2.79 34.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.152 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 t30 70.8 18.88 6.07 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.723 0.773 . . . . 0.0 110.38 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.453 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 57.6 mt -88.18 75.97 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' B' ' 46' ' ' MET . 0.8 OUTLIER -87.36 -7.06 58.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.638 -176.117 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 10.4 m-20 -57.37 104.97 0.46 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.41 177.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 44.0 Cg_exo -56.77 -51.03 9.9 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 124.053 3.169 . . . . 0.0 114.477 -169.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 48.0 mt-30 -69.35 -36.04 76.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.311 0.577 . . . . 0.0 110.298 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.467 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 16.2 m170 -68.86 -37.44 79.1 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.303 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.561 ' HG2' HD23 ' B' ' 40' ' ' LEU . 50.3 mtp180 -57.93 -55.54 33.65 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.971 170.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -49.93 -42.55 48.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.508 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.557 ' O ' HG21 ' A' ' 56' ' ' THR . 27.8 mtpt -66.71 -51.33 57.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.945 177.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.422 HD12 HD21 ' B' ' 40' ' ' LEU . 91.9 mt -54.29 -45.48 72.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.862 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.588 HD11 ' N ' ' B' ' 37' ' ' GLU . 2.0 mm? -68.55 -36.72 79.18 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.713 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.568 HG21 ' O ' ' A' ' 53' ' ' LYS . 48.3 m -65.14 -40.44 94.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.344 0.592 . . . . 0.0 110.01 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.648 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -62.38 -46.58 88.0 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.209 176.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.96 89.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -58.74 -49.86 76.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.618 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.634 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.9 mp -73.57 -27.56 61.38 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.872 -178.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.622 HD11 ' HG ' ' B' ' 8' ' ' LEU . 62.0 mt -71.89 -27.4 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.445 0.641 . . . . 0.0 110.056 173.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.51 -37.73 65.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.651 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.606 ' OD1' ' HD3' ' A' ' 2' ' ' PRO . 0.6 OUTLIER -101.19 -37.32 8.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.243 -175.341 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' B' ' 60' ' ' LEU . 90.0 m-85 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 121.028 0.442 . . . . 0.0 110.256 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo . . . . . 0 N--CA 1.461 -0.424 0 CA-C-O 120.915 0.298 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -89.02 -14.16 37.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.183 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.9 p -133.12 170.46 15.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.152 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.413 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.6 tm? -60.67 -49.55 77.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.435 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -54.12 -44.52 71.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.214 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -69.07 -30.88 69.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.733 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.577 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -67.22 -42.48 84.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.996 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -62.2 -40.11 94.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.7 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -66.9 -30.11 70.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.534 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -65.86 -46.29 79.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.423 -179.051 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.517 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.6 pt -90.34 -12.7 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.992 -175.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.72 27.36 14.66 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.687 175.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.2 mm? -118.78 27.87 8.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.106 0.479 . . . . 0.0 110.133 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.6 pt-20 -60.82 -17.3 48.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.709 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.3 pt-20 -62.9 -20.01 64.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.008 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.48 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 83.5 m-70 -119.41 11.34 12.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.94 -175.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.453 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 15.1 m -55.06 -45.8 75.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.885 0.374 . . . . 0.0 110.767 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 28.9 m -62.65 -37.88 88.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.806 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 43.2 m -57.48 -50.68 72.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.796 0.331 . . . . 0.0 110.486 178.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.3 mm? -61.38 -53.29 58.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.848 176.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.19 -47.93 65.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.001 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 19' ' ' SER . 86.7 mt -71.05 -27.69 63.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.646 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -94.25 13.46 23.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.117 0.484 . . . . 0.0 111.379 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.24 -8.76 45.21 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.03 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.507 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 91.7 m-85 -86.17 79.86 8.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.14 0.495 . . . . 0.0 109.965 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -103.76 -19.4 14.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.007 -175.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.6 p -124.93 168.56 13.13 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.594 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.73 -26.91 66.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.405 0.622 . . . . 0.0 109.324 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 40.8 mt-10 -69.74 -25.42 63.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.972 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.444 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 58.3 m-20 -81.56 -48.58 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.33 -28.35 69.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.906 -174.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.6 ptpt -65.56 -8.77 21.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.199 -0.313 . . . . 0.0 111.536 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -105.69 6.0 31.56 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.194 0.521 . . . . 0.0 110.595 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.37 122.46 20.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.55 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' C ' HD11 ' A' ' 55' ' ' LEU . 19.6 mmt180 -119.8 165.6 14.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.252 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.578 ' N ' HD11 ' A' ' 55' ' ' LEU . 31.9 tt0 -64.33 -39.09 93.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.058 0.456 . . . . 0.0 110.4 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.1 m -56.44 -28.34 59.28 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.393 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.762 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 48.6 m170 -76.75 -34.54 58.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.096 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.534 HD12 HD12 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -63.38 -38.21 90.27 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.586 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 80.7 m-20 -59.19 -35.07 72.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.484 0.659 . . . . 0.0 109.726 175.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.56 -36.1 63.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.837 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 60.6 mt -82.47 -3.64 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.069 -177.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.7 t30 70.15 18.17 7.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.762 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.534 HD12 HD12 ' A' ' 40' ' ' LEU . 62.2 mt -88.87 72.59 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 173.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.586 ' SD ' ' HA ' ' A' ' 41' ' ' ASN . 70.1 mmm -83.57 -8.26 59.36 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.604 -172.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 27.7 m-20 -57.44 108.49 1.27 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.554 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 47.2 Cg_exo -56.46 -51.17 9.84 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 124.086 3.191 . . . . 0.0 114.589 -171.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.57 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 50.8 mt-30 -67.7 -36.07 79.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.039 0.447 . . . . 0.0 110.125 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 21.2 m170 -65.5 -43.09 91.21 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.815 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.572 ' O ' HD22 ' A' ' 55' ' ' LEU . 43.5 mtp180 -56.46 -54.24 48.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.053 172.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -50.0 -42.18 48.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.349 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.596 ' O ' HG21 ' B' ' 56' ' ' THR . 29.9 mtpt -67.84 -51.08 52.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.724 177.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 80.7 mt -54.63 -43.94 72.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.52 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.578 HD11 ' N ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -64.98 -44.8 88.11 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.321 179.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.605 HG21 ' O ' ' B' ' 53' ' ' LYS . 32.2 m -61.62 -40.99 96.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.013 0.435 . . . . 0.0 110.78 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.63 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.45 -46.74 88.97 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.931 176.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.16 97.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.317 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 23.3 mm-40 -58.55 -54.11 50.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.426 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.2 mp -65.95 -46.5 77.92 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.683 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.577 HD11 ' HG ' ' A' ' 8' ' ' LEU . 94.5 mt -60.24 -22.41 63.01 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.859 0.361 . . . . 0.0 111.691 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.526 HD23 HH22 ' B' ' 11' ' ' ARG . 24.3 tp -70.46 -26.9 63.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -113.41 -38.44 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.019 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.32 -0.709 0 C-N-CA 123.215 0.606 . . . . 0.0 111.263 -174.151 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo . . . . . 0 N--CA 1.461 -0.428 0 CA-C-O 120.937 0.307 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -89.36 -13.74 37.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.3 p -133.58 170.47 15.48 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.064 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.421 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.6 tm? -60.88 -49.39 77.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.545 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.28 -44.52 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.145 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -69.03 -30.96 69.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.661 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.595 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -67.15 -42.47 84.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.063 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.428 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -62.18 -40.26 95.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.635 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.86 -30.08 70.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 0.0 110.476 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.526 HH22 HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.73 -46.51 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.423 -179.181 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.51 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.5 pt -89.91 -13.34 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.011 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.23 27.39 13.55 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.651 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.428 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.2 mm? -118.7 27.85 8.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.978 0.418 . . . . 0.0 110.109 177.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.447 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.5 pt-20 -60.77 -17.52 49.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.858 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 11.5 pt-20 -62.72 -20.09 64.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.045 174.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 82.9 m-70 -119.16 10.95 12.22 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.981 0.364 . . . . 0.0 111.981 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.447 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 14.5 m -54.88 -45.76 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.75 0.309 . . . . 0.0 110.931 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.577 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 23.4 m -63.07 -37.46 87.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.699 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 52.8 m -57.66 -50.76 72.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.811 0.339 . . . . 0.0 110.369 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.3 mm? -61.25 -53.28 58.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.815 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.6 tp -52.45 -47.48 66.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.989 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 19' ' ' SER . 86.9 mt -71.1 -28.28 64.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.577 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -93.83 13.26 23.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.126 0.488 . . . . 0.0 111.364 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.46 -9.11 44.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.176 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.493 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 91.8 m-85 -85.78 79.91 9.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.167 0.508 . . . . 0.0 109.935 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -103.75 -19.73 14.2 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.778 -175.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -124.66 168.08 13.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.649 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -67.29 -26.95 66.79 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.448 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 40.4 mt-10 -69.6 -25.42 63.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.901 176.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.455 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 56.5 m-20 -81.56 -48.66 11.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.26 -28.45 70.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.9 -174.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.6 ptpt -65.5 -8.54 19.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.112 -0.367 . . . . 0.0 111.597 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.91 5.94 31.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.201 0.525 . . . . 0.0 110.584 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.18 122.33 19.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.65 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.51 ' C ' HD11 ' B' ' 55' ' ' LEU . 19.6 mmt180 -119.56 165.46 14.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.281 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.572 ' N ' HD11 ' B' ' 55' ' ' LEU . 31.9 tt0 -64.29 -39.04 93.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.013 0.435 . . . . 0.0 110.379 -175.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -56.38 -28.58 59.62 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.328 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.773 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 48.4 m170 -76.53 -34.67 58.53 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.087 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.529 HD12 HD12 ' B' ' 45' ' ' ILE . 0.4 OUTLIER -63.27 -38.2 90.21 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 175.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . 0.575 ' HA ' ' SD ' ' B' ' 46' ' ' MET . 81.4 m-20 -59.28 -34.97 72.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.812 175.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -74.54 -36.42 63.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.801 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 60.7 mt -82.08 -3.61 55.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.102 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 65.5 t30 70.32 17.75 6.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.793 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.529 HD12 HD12 ' B' ' 40' ' ' LEU . 62.1 mt -88.51 72.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 174.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' B' ' 41' ' ' ASN . 69.6 mmm -83.89 -8.02 59.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.613 -172.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.477 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 28.9 m-20 -57.5 108.32 1.22 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.52 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.55 -50.92 10.39 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 124.206 3.271 . . . . 0.0 114.557 -171.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.587 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 50.4 mt-30 -67.84 -36.26 80.03 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.477 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 20.9 m170 -65.49 -43.07 91.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.78 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.553 ' O ' HD22 ' B' ' 55' ' ' LEU . 43.7 mtp180 -56.43 -54.3 47.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.08 172.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.456 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -49.86 -42.28 47.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.279 -178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.605 ' O ' HG21 ' A' ' 56' ' ' THR . 29.7 mtpt -67.67 -51.4 50.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.771 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 80.3 mt -54.49 -43.82 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.6 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.572 HD11 ' N ' ' B' ' 37' ' ' GLU . 0.3 OUTLIER -65.07 -44.6 88.42 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.38 179.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.596 HG21 ' O ' ' A' ' 53' ' ' LYS . 32.0 m -61.65 -41.04 96.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.049 0.452 . . . . 0.0 110.762 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.61 -46.72 89.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.86 176.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.01 97.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.216 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 21.3 mm-40 -58.72 -54.17 50.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.393 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.63 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.2 mp -65.89 -46.54 77.99 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.664 -178.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.595 HD11 ' HG ' ' B' ' 8' ' ' LEU . 94.4 mt -60.13 -22.47 62.87 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.872 0.367 . . . . 0.0 111.812 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.463 HD23 ' NH2' ' A' ' 11' ' ' ARG . 24.3 tp -70.31 -27.34 64.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.379 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -112.93 -38.61 4.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.029 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.347 -174.109 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.509 ' HD3' ' OD2' ' B' ' 63' ' ' ASP . 23.8 Cg_exo . . . . . 0 N--CA 1.463 -0.311 0 CA-C-O 120.915 0.298 . . . . 0.0 111.82 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -86.64 -19.18 29.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.226 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.567 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 77.4 p -125.15 165.61 17.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.016 -176.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.6 tm? -57.72 -47.87 81.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.444 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -54.01 -48.17 70.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.333 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.567 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 24.0 mm-40 -67.06 -33.0 74.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 61' ' ' LEU . 3.0 tm? -66.11 -46.61 76.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.422 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.3 mm? -61.93 -42.18 98.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.24 -30.95 71.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.784 0.326 . . . . 0.0 110.688 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HD3' ' HB3' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -64.31 -52.57 57.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.724 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.8 pt -81.51 -13.89 12.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.974 -175.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.19 24.28 17.19 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.744 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.9 mm? -117.03 31.48 6.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.905 0.383 . . . . 0.0 110.412 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.4 pt-20 -59.64 -18.41 41.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.927 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.92 -22.2 66.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.981 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.83 10.86 15.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.637 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.4 m -57.66 -45.63 85.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.051 0.453 . . . . 0.0 110.349 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.563 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 32.2 t -63.11 -36.32 83.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.904 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.3 m -58.82 -52.58 65.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.901 0.381 . . . . 0.0 110.117 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.9 mm? -60.19 -53.12 61.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.119 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 27' ' ' GLN . 20.2 tp -52.29 -49.19 64.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.689 -176.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 19' ' ' SER . 82.3 mt -73.23 -21.04 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.575 -176.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -96.34 12.17 32.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.962 0.411 . . . . 0.0 111.174 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.54 -8.36 51.64 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.938 172.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 95.2 m-85 -88.18 81.21 7.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.361 0.6 . . . . 0.0 109.699 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HA ' HD12 ' A' ' 22' ' ' LEU . 37.2 mt-30 -104.1 -15.99 15.39 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.617 -172.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -129.53 170.75 13.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.706 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.33 -29.05 69.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.325 0.583 . . . . 0.0 109.638 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 46.1 mt-10 -65.5 -30.32 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.412 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 50.3 m-20 -81.66 -44.3 17.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.04 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.528 ' HD2' HD12 ' A' ' 61' ' ' LEU . 45.1 t80 -65.48 -28.59 69.31 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.94 -174.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 19.4 ptpt -68.89 -7.79 38.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.105 0.478 . . . . 0.0 110.895 177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -103.86 2.38 32.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.652 0.739 . . . . 0.0 109.442 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -75.19 125.48 29.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.868 -178.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -130.04 169.45 15.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.632 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HB2' HD21 ' A' ' 55' ' ' LEU . 42.1 tt0 -61.72 -40.87 96.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.063 0.459 . . . . 0.0 110.17 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.7 m -57.15 -32.6 66.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.319 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.499 ' O ' HD13 ' A' ' 43' ' ' LEU . 66.6 m170 -76.58 -40.51 49.44 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.83 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -59.58 -34.4 72.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.095 175.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HA ' ' HE3' ' A' ' 46' ' ' MET . 95.9 m-20 -62.09 -36.73 82.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.108 175.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.14 -36.17 64.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.525 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 39' ' ' HIS . 11.2 mp -77.36 -4.54 45.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.02 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t30 67.29 29.5 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.619 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.415 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 55.9 mt -90.88 79.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.417 ' HE3' ' HA ' ' A' ' 41' ' ' ASN . 20.4 mmt -78.4 -11.7 59.96 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.489 -176.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.581 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 64.0 m-20 -55.33 105.16 0.49 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.538 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.97 -50.99 4.2 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.274 2.649 . . . . 0.0 113.847 -171.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 53.8 mt-30 -68.32 -36.13 78.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.994 0.426 . . . . 0.0 110.166 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 41.6 m170 -66.2 -42.13 89.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.718 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.582 ' O ' HD22 ' A' ' 55' ' ' LEU . 41.9 mtp180 -53.29 -53.51 49.86 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.052 171.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.38 -44.49 68.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.243 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.58 ' O ' HG21 ' B' ' 56' ' ' THR . 29.7 mtpt -64.79 -51.66 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.894 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 85.0 mt -55.39 -45.25 76.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.422 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.582 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -63.15 -42.35 99.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.873 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.581 HG21 ' O ' ' B' ' 53' ' ' LYS . 30.2 m -64.3 -41.16 96.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.237 0.542 . . . . 0.0 110.818 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.686 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -62.09 -43.53 98.64 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.831 177.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.6 90.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.5 mm-40 -57.68 -52.97 63.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.157 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.9 mp -74.09 -21.95 59.7 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.133 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 41.4 mt -74.03 -29.51 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.035 172.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.8 tp -72.05 -41.71 67.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.325 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.521 ' OD2' ' HD3' ' B' ' 2' ' ' PRO . 1.1 m-20 -89.74 -45.96 8.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.312 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.488 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 90.6 m-85 . . . . . 0 C--N 1.321 -0.634 0 CA-C-O 120.961 0.41 . . . . 0.0 110.743 -175.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.521 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 23.9 Cg_exo . . . . . 0 CA--C 1.52 -0.221 0 CA-C-O 120.85 0.271 . . . . 0.0 111.756 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -86.93 -18.61 30.38 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.298 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.588 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 72.3 p -125.59 165.88 17.72 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.921 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.426 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.6 tm? -58.21 -48.09 81.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.352 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -53.71 -48.13 69.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.421 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.588 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.2 mm-40 -67.2 -32.92 74.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.435 -176.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' B' ' 61' ' ' LEU . 3.0 tm? -66.15 -46.55 77.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.358 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.463 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.3 mm? -62.07 -41.91 98.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.01 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.56 -30.59 71.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.707 0.289 . . . . 0.0 110.867 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.515 ' HD3' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -64.35 -52.99 55.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.747 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.483 ' CG2' HG23 ' A' ' 56' ' ' THR . 42.0 pt -81.42 -13.74 12.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.899 -175.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.82 22.91 19.51 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.022 174.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.463 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -116.27 31.9 6.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.848 0.356 . . . . 0.0 110.369 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.501 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.5 pt-20 -59.82 -18.54 44.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.994 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.14 -21.23 66.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.989 175.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -116.6 10.79 14.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.605 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.501 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 9.1 m -57.73 -45.37 85.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.024 0.44 . . . . 0.0 110.444 178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.553 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 33.0 t -63.35 -36.59 84.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.848 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.6 m -58.51 -52.49 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.139 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.9 mm? -60.36 -53.16 61.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.119 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 27' ' ' GLN . 20.3 tp -52.25 -49.11 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.818 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 19' ' ' SER . 82.2 mt -73.18 -21.12 60.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.587 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -96.23 11.89 32.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.991 0.424 . . . . 0.0 111.196 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -8.16 51.13 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.862 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.487 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 95.5 m-85 -88.36 81.05 7.33 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.422 0.629 . . . . 0.0 109.695 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' B' ' 22' ' ' LEU . 37.2 mt-30 -104.03 -15.62 15.54 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.699 -172.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.2 p -129.64 170.98 13.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.712 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.57 -29.23 69.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.34 0.59 . . . . 0.0 109.486 174.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.2 -30.56 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.415 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.463 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 49.2 m-20 -81.46 -44.31 17.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.194 0.521 . . . . 0.0 109.877 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.538 ' HD2' HD12 ' B' ' 61' ' ' LEU . 45.1 t80 -65.66 -28.46 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.934 -174.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -69.02 -7.57 36.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.086 0.469 . . . . 0.0 110.902 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -104.05 2.3 31.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.721 0.772 . . . . 0.0 109.411 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -75.07 125.52 29.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.851 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -129.98 169.36 15.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.56 -177.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' B' ' 55' ' ' LEU . 42.4 tt0 -61.63 -41.08 96.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.003 0.43 . . . . 0.0 110.197 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.5 m -57.06 -32.57 66.36 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.241 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.503 ' O ' HD13 ' B' ' 43' ' ' LEU . 66.5 m170 -76.57 -40.19 50.4 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.894 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -59.79 -34.26 72.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.964 175.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . 0.428 ' HA ' ' HE3' ' B' ' 46' ' ' MET . 96.1 m-20 -62.08 -37.11 83.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.115 175.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -73.99 -35.58 64.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.535 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.503 HD13 ' O ' ' B' ' 39' ' ' HIS . 11.2 mp -78.08 -4.07 45.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.005 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 66.68 29.76 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.673 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.42 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 56.0 mt -90.99 79.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 174.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.428 ' HE3' ' HA ' ' B' ' 41' ' ' ASN . 19.9 mmt -78.33 -11.88 59.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.387 -176.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 65.0 m-20 -55.1 105.06 0.47 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.627 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.08 -50.85 4.32 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.407 2.738 . . . . 0.0 113.794 -171.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.1 mt-30 -68.84 -35.83 77.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.928 0.394 . . . . 0.0 110.128 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.585 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 40.8 m170 -66.28 -42.09 88.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.749 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.577 ' O ' HD22 ' B' ' 55' ' ' LEU . 41.7 mtp180 -53.32 -53.59 48.7 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.978 171.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.26 -44.49 68.24 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.287 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.581 ' O ' HG21 ' A' ' 56' ' ' THR . 29.9 mtpt -64.92 -51.58 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.797 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 84.9 mt -55.49 -45.17 77.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.348 -178.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -63.2 -42.27 99.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.895 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 53' ' ' LYS . 29.9 m -64.35 -41.14 96.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.167 0.508 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.659 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -62.12 -43.46 98.78 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.863 177.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.52 91.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.715 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.5 mm-40 -57.77 -53.01 63.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.063 178.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.9 mp -74.17 -21.81 59.68 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.147 -176.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 41.4 mt -73.96 -29.67 62.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.34 0.591 . . . . 0.0 110.124 172.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.05 -41.45 67.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.342 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.509 ' OD2' ' HD3' ' A' ' 2' ' ' PRO . 1.1 m-20 -89.7 -46.46 8.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.351 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' B' ' 60' ' ' LEU . 90.5 m-85 . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.039 0.447 . . . . 0.0 110.801 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo . . . . . 0 N--CA 1.464 -0.244 0 CA-C-O 121.008 0.337 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -92.6 -17.86 23.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.646 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.499 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 45.1 p -126.41 169.39 13.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.81 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.6 tm? -62.81 -46.47 87.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.977 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.415 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 58.2 t-80 -51.59 -46.84 63.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.165 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.499 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 27.1 mm-40 -69.58 -32.41 71.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.711 -176.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -70.0 -43.8 70.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.7 mm? -62.06 -41.94 98.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 42.2 mt-10 -66.71 -31.44 72.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.868 0.366 . . . . 0.0 110.427 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -64.77 -46.21 83.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.183 -178.291 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.439 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.4 pt -87.67 -14.52 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.526 -177.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.52 30.8 8.78 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.998 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.8 mm? -121.8 33.88 5.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.943 0.402 . . . . 0.0 110.24 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.2 pt-20 -61.41 -15.84 40.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.798 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.27 -16.97 63.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.922 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -119.09 5.94 11.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.976 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.495 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 15.3 m -55.29 -46.88 76.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.898 0.38 . . . . 0.0 110.424 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.6 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 33.5 t -61.98 -39.3 91.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.915 176.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -56.55 -51.98 66.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.27 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.4 mm? -59.8 -52.12 66.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.197 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.98 -45.19 71.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.174 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 19' ' ' SER . 87.4 mt -68.37 -30.35 69.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.973 0.416 . . . . 0.0 111.081 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' ND2' ' HG ' ' A' ' 43' ' ' LEU . 28.7 m-80 -91.25 4.92 51.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.369 -177.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.8 -4.67 42.54 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.002 172.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.487 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.2 m-85 -89.47 82.49 6.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.104 0.478 . . . . 0.0 109.865 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -109.21 -11.74 14.87 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.711 -174.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -128.81 167.69 16.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.546 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.6 mt -65.68 -27.98 68.75 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.623 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 31.9 mt-10 -70.31 -27.17 64.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.636 178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.475 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 54.5 m-20 -80.37 -47.48 14.38 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.503 ' HD1' HD12 ' A' ' 61' ' ' LEU . 41.9 t80 -65.54 -28.99 69.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.061 -173.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.6 ptpt -66.36 -9.1 30.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 0.0 111.059 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -104.72 2.61 30.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.317 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.491 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -72.44 124.69 25.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.868 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' C ' HD11 ' A' ' 55' ' ' LEU . 21.3 mmt180 -121.16 166.94 13.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.511 ' N ' HD11 ' A' ' 55' ' ' LEU . 39.6 tt0 -63.51 -42.26 98.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.945 0.402 . . . . 0.0 110.575 -177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 m -60.4 -23.62 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.408 ' O ' HD13 ' A' ' 43' ' ' LEU . 39.1 m170 -76.38 -40.73 50.23 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.6 -33.86 72.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.821 175.599 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -56.67 -40.07 74.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.159 0.504 . . . . 0.0 110.073 171.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.42 -33.08 58.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.975 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.416 ' HG ' ' ND2' ' A' ' 24' ' ' ASN . 11.0 mp -81.0 -0.75 40.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.149 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 64.83 30.85 12.0 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.896 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.468 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 60.5 mt -97.3 83.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.194 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.426 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 3.9 mmt -93.16 -9.8 38.11 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.624 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 30.9 m-20 -61.18 110.18 2.8 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.219 177.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 34.7 Cg_exo -57.41 -47.0 23.97 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.88 3.053 . . . . 0.0 114.108 -171.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.621 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.5 mt-30 -68.49 -38.17 80.76 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.07 0.462 . . . . 0.0 110.04 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.466 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 13.9 m170 -66.87 -40.72 87.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.51 ' O ' HD22 ' A' ' 55' ' ' LEU . 44.2 mtp180 -56.65 -56.78 17.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.103 170.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -50.45 -43.71 55.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.439 -176.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 34.7 mtpt -66.21 -50.1 65.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.71 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 95.4 mt -55.88 -46.95 78.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.528 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.665 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -63.32 -45.04 93.15 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.175 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.6 HG21 ' O ' ' B' ' 53' ' ' LYS . 34.8 m -62.71 -39.44 94.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.059 0.457 . . . . 0.0 110.787 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.83 -45.06 95.95 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.912 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.78 96.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 8.0 mm-40 -57.66 -53.84 53.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.377 0.608 . . . . 0.0 110.273 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.5 mp -72.4 -31.66 65.73 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.784 -0.643 . . . . 0.0 112.347 -176.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.608 HD11 ' HG ' ' A' ' 8' ' ' LEU . 44.4 mt -67.53 -25.37 65.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.499 0.591 . . . . 0.0 110.757 176.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.476 HD23 ' NH2' ' B' ' 11' ' ' ARG . 33.1 tp -74.8 -32.66 62.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.748 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -103.52 -41.14 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.183 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 97.2 m-85 . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.991 0.33 . . . . 0.0 112.144 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -92.53 -17.96 23.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.591 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.507 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 45.8 p -126.33 169.42 12.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.722 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.476 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.6 tm? -63.06 -46.15 88.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.008 -178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.408 ' HA ' ' CG2' ' B' ' 18' ' ' THR . 58.2 t-80 -51.79 -46.82 64.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.1 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.507 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.3 mm-40 -69.7 -32.41 70.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.742 -176.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.626 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -69.83 -43.81 71.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.364 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.522 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.7 mm? -62.15 -41.78 98.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.437 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 41.8 mt-10 -66.83 -31.59 72.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.925 0.393 . . . . 0.0 110.379 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.476 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.82 -45.7 85.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.345 -178.387 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.9 pt -87.98 -14.69 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.646 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.78 30.54 8.89 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.062 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.522 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -121.58 33.77 5.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.888 0.375 . . . . 0.0 110.244 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.476 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 12.2 pt-20 -61.31 -16.14 42.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.857 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.89 -17.17 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.972 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -119.02 6.03 11.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.969 -176.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.476 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 16.2 m -55.44 -46.61 76.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.401 . . . . 0.0 110.483 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.594 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 32.8 t -62.0 -39.48 92.37 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.92 176.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -56.24 -52.14 65.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.931 0.396 . . . . 0.0 110.346 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.4 mm? -59.72 -52.13 66.82 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.162 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.99 -45.04 71.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.129 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' ' 19' ' ' SER . 87.6 mt -68.68 -30.23 68.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.408 . . . . 0.0 111.037 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.418 ' ND2' ' HG ' ' B' ' 43' ' ' LEU . 27.7 m-80 -91.32 5.11 50.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.434 -177.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.84 -4.8 42.45 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.947 172.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.5 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.0 m-85 -89.67 82.62 6.29 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.192 0.52 . . . . 0.0 109.971 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -109.46 -11.89 14.77 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.763 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 66.7 p -128.5 167.95 16.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.497 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.9 -27.69 68.39 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.587 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.416 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 32.5 mt-10 -70.78 -26.71 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.702 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 53.2 m-20 -80.58 -47.64 13.88 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.505 ' HD1' HD12 ' B' ' 61' ' ' LEU . 41.7 t80 -65.46 -28.95 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.05 -173.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.6 ptpt -66.45 -9.11 30.85 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.877 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -104.63 2.46 30.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.338 0.59 . . . . 0.0 110.374 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.484 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -72.23 124.69 25.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.858 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.455 ' C ' HD11 ' B' ' 55' ' ' LEU . 21.9 mmt180 -121.14 167.03 13.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.52 ' N ' HD11 ' B' ' 55' ' ' LEU . 39.4 tt0 -63.63 -42.14 98.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.885 0.374 . . . . 0.0 110.631 -177.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 39.3 m -60.53 -23.5 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.398 0.618 . . . . 0.0 110.347 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' B' ' 36' ' ' ARG . 39.8 m170 -76.47 -40.57 49.99 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.484 ' CD1' HD11 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -59.63 -34.09 72.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.784 175.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . 0.409 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 5.3 m-20 -56.27 -40.56 74.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.328 0.585 . . . . 0.0 110.028 172.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.2 -33.2 59.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.865 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.418 ' HG ' ' ND2' ' B' ' 24' ' ' ASN . 10.9 mp -80.68 -1.0 40.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.111 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 64.84 31.15 11.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.676 0.75 . . . . 0.0 110.783 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.468 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 60.9 mt -97.35 83.6 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.169 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.414 ' HA ' ' CE ' ' B' ' 46' ' ' MET . 3.8 mmt -93.29 -9.44 39.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.51 -172.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 32.9 m-20 -61.3 110.35 2.98 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 123.354 0.408 . . . . 0.0 110.105 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 32.4 Cg_exo -57.72 -47.16 22.4 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.729 2.952 . . . . 0.0 114.126 -171.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.633 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.3 mt-30 -68.04 -38.28 82.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.468 ' O ' ' HG ' ' B' ' 54' ' ' LEU . 13.8 m170 -66.91 -40.68 87.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.103 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.496 ' O ' HD22 ' B' ' 55' ' ' LEU . 44.0 mtp180 -56.56 -56.75 17.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.181 170.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -50.5 -43.6 55.76 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.488 -176.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 34.8 mtpt -66.26 -50.14 64.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.729 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 95.1 mt -55.8 -46.98 77.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.512 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.3 OUTLIER -63.26 -45.05 93.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.253 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.593 HG21 ' O ' ' A' ' 53' ' ' LYS . 35.8 m -62.77 -39.46 94.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.02 0.438 . . . . 0.0 110.732 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.646 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.85 -45.05 96.02 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.939 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.91 96.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 7.8 mm-40 -57.49 -54.0 51.84 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.359 178.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.5 mp -72.33 -31.76 65.94 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.282 -176.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.626 HD11 ' HG ' ' B' ' 8' ' ' LEU . 44.7 mt -67.49 -25.23 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.465 0.575 . . . . 0.0 110.797 176.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.449 HD23 ' NH2' ' A' ' 11' ' ' ARG . 33.4 tp -75.06 -32.46 61.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.791 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -103.62 -41.13 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.153 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.501 ' HB3' ' O ' ' A' ' 64' ' ' TYR . 97.2 m-85 . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo . . . . . 0 CA--C 1.519 -0.272 0 CA-C-O 120.961 0.317 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -99.09 -22.29 15.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.751 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.2 p -127.26 174.59 8.82 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.708 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.7 tm? -59.91 -53.2 60.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.444 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.411 ' CD2' HG21 ' A' ' 18' ' ' THR . 11.6 t-160 -54.23 -42.35 69.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.217 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -62.18 -41.92 98.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.718 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.7 tm? -67.46 -43.33 81.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.214 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.1 mm? -60.85 -42.52 97.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.66 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.16 -35.36 80.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.698 0.285 . . . . 0.0 110.676 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -46.16 90.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.423 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.493 ' CG2' HG23 ' B' ' 56' ' ' THR . 36.7 pt -90.38 -13.19 9.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.849 -176.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.03 26.05 15.49 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.906 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.7 mm? -117.84 29.78 7.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.997 0.427 . . . . 0.0 110.064 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -22.32 60.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.164 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.1 pt-20 -56.55 -22.09 30.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.519 172.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.403 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 85.6 m-70 -115.98 10.82 15.24 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -176.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.411 HG21 ' CD2' ' A' ' 6' ' ' HIS . 31.9 m -55.34 -50.85 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.012 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.6 t -64.05 -32.67 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.978 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.3 m -60.33 -53.94 51.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.086 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 3.0 mm? -58.33 -51.81 68.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.722 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.49 -48.14 62.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.919 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.2 mt -74.69 -26.35 59.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.667 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.486 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 24.3 m-80 -90.23 7.16 39.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.901 0.382 . . . . 0.0 111.557 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.94 1.26 42.18 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.759 172.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HA ' ' CB ' ' A' ' 31' ' ' ASP . 96.0 m-85 -99.52 82.82 2.7 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.253 0.549 . . . . 0.0 109.789 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -106.79 -16.73 14.41 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.714 -172.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -127.98 168.09 15.76 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.458 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 8' ' ' LEU . 85.3 mt -64.83 -29.24 70.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.343 0.592 . . . . 0.0 109.556 174.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.31 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.459 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 57.7 m-20 -82.78 -45.0 14.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.002 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.502 ' HD2' HD12 ' A' ' 61' ' ' LEU . 51.9 t80 -62.86 -29.6 70.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.872 -173.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.62 -4.95 21.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.113 0.482 . . . . 0.0 111.05 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -103.41 -1.19 28.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.924 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -72.29 129.48 38.52 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.106 -177.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -130.01 166.39 20.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.247 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' N ' HD11 ' A' ' 55' ' ' LEU . 39.9 tt0 -60.77 -43.44 98.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 110.667 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.4 m -58.93 -29.06 66.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.315 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.42 ' O ' HD13 ' A' ' 43' ' ' LEU . 28.4 m170 -75.9 -39.77 55.66 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.175 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -57.98 -34.62 70.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 176.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -57.99 -43.48 86.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.247 0.546 . . . . 0.0 109.915 172.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.83 -34.03 68.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.017 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' HG ' ' CG ' ' A' ' 24' ' ' ASN . 11.0 mp -78.48 -0.51 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.175 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 t30 66.36 26.06 10.27 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.808 0.813 . . . . 0.0 110.732 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.417 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 57.5 mt -91.02 87.7 2.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.2 mmt -87.71 -11.08 49.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.053 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 25.6 m-20 -58.87 102.92 0.32 Allowed Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.662 0.601 . . . . 0.0 110.412 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 32.2 Cg_exo -58.77 -51.35 7.2 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.858 3.038 . . . . 0.0 114.055 -169.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.617 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.0 mt-30 -69.26 -36.02 76.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.179 0.514 . . . . 0.0 110.08 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 26.5 m170 -68.92 -37.96 79.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.888 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.647 ' O ' HD22 ' A' ' 55' ' ' LEU . 39.7 mtp85 -57.43 -53.42 58.32 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.029 171.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.02 -41.23 64.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.324 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 38.6 mtpt -64.76 -50.66 65.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.812 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 89.4 mt -54.05 -45.45 71.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.571 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.64 -44.75 95.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.816 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.6 HG21 ' O ' ' B' ' 53' ' ' LYS . 31.0 m -60.25 -42.27 94.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.304 0.573 . . . . 0.0 110.987 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.618 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.94 -45.41 93.79 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.255 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.64 89.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.5 mm-40 -57.6 -53.05 62.52 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.93 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.653 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.0 mp -70.62 -33.85 71.46 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.015 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.718 HD11 ' HG ' ' A' ' 8' ' ' LEU . 71.3 mt -67.85 -26.05 65.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.051 0.453 . . . . 0.0 110.775 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.472 HD23 ' NH2' ' B' ' 11' ' ' ARG . 34.6 tp -72.35 -32.9 66.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.584 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -99.93 -53.6 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.809 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.337 -174.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 N--CA 1.463 -0.275 0 CA-C-O 121.047 0.353 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -98.5 -22.54 15.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.795 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -127.21 174.49 8.89 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.705 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.52 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.7 tm? -59.68 -53.1 61.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.45 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.417 ' CD2' HG21 ' B' ' 18' ' ' THR . 11.6 t-160 -54.35 -42.52 70.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.193 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.92 -42.04 98.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.665 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.72 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.6 tm? -67.4 -43.37 81.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.377 -178.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -60.69 -42.53 97.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.761 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.2 -35.5 81.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.765 0.316 . . . . 0.0 110.717 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.472 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -60.13 -46.25 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.489 -178.386 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.489 ' CG2' HG23 ' A' ' 56' ' ' THR . 36.8 pt -90.39 -13.57 9.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.777 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.31 26.14 14.64 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.922 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.524 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.7 mm? -117.79 29.78 7.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.009 0.433 . . . . 0.0 110.154 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -22.42 60.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.11 176.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.74 -21.22 26.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.569 173.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -116.74 10.97 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.719 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.417 HG21 ' CD2' ' B' ' 6' ' ' HIS . 32.0 m -55.45 -50.95 68.5 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.027 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 25.0 t -64.09 -32.82 74.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.182 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 17.7 m -59.99 -53.9 52.37 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.153 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 3.0 mm? -58.3 -51.75 68.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.743 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.0 tp -51.56 -48.1 63.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.905 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 19' ' ' SER . 90.9 mt -74.74 -26.5 59.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.591 -176.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.472 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 22.6 m-80 -89.91 6.69 40.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.89 0.376 . . . . 0.0 111.439 -177.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.96 1.51 42.15 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.866 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.476 ' HA ' ' CB ' ' B' ' 31' ' ' ASP . 96.2 m-85 -99.68 83.02 2.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.333 0.587 . . . . 0.0 109.727 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -106.9 -16.65 14.41 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.714 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 58.6 p -127.99 168.35 15.41 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.303 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' B' ' 8' ' ' LEU . 85.7 mt -65.07 -29.19 70.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 109.446 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.33 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.487 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 54.9 m-20 -82.57 -45.1 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.011 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.505 ' HD2' HD12 ' B' ' 61' ' ' LEU . 51.9 t80 -63.17 -29.6 70.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.872 -173.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.35 -5.24 22.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.185 0.517 . . . . 0.0 111.031 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -103.17 -1.05 29.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.283 0.563 . . . . 0.0 110.03 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -72.3 129.52 38.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.115 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -130.06 166.25 20.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.114 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.415 ' N ' HD11 ' B' ' 55' ' ' LEU . 39.4 tt0 -60.81 -43.3 98.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.233 0.539 . . . . 0.0 110.658 -177.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 63.1 m -59.12 -28.84 66.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.379 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.414 ' O ' HD13 ' B' ' 43' ' ' LEU . 28.0 m170 -76.17 -39.66 54.37 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.156 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -58.08 -34.46 70.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.275 176.445 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -58.07 -43.42 86.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.168 0.509 . . . . 0.0 109.891 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.99 -33.87 68.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.932 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.472 ' HG ' ' CG ' ' B' ' 24' ' ' ASN . 10.9 mp -78.63 -0.07 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.079 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.17 25.54 10.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.788 0.804 . . . . 0.0 110.802 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.421 ' O ' ' HD2' ' B' ' 51' ' ' ARG . 56.5 mt -90.62 87.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.325 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 32.6 mmt -87.51 -11.72 48.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.066 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.476 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 23.5 m-20 -58.24 102.89 0.32 Allowed Pre-proline 0 N--CA 1.465 0.282 0 O-C-N 123.732 0.645 . . . . 0.0 110.429 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 34.0 Cg_exo -58.9 -51.13 7.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.87 3.046 . . . . 0.0 114.082 -169.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.638 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 53.5 mt-30 -69.44 -36.13 76.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.227 0.537 . . . . 0.0 110.061 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.476 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 26.0 m170 -68.72 -38.11 79.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.989 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.649 ' O ' HD22 ' B' ' 55' ' ' LEU . 40.5 mtp85 -57.39 -53.37 58.96 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.012 171.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.603 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.18 -41.07 64.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.255 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 38.4 mtpt -64.79 -50.83 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 89.2 mt -53.99 -45.23 71.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.583 -179.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.649 HD22 ' O ' ' B' ' 51' ' ' ARG . 0.1 OUTLIER -62.98 -44.59 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.764 179.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 53' ' ' LYS . 30.9 m -60.27 -42.36 95.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.874 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.653 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -61.96 -45.36 93.98 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.316 178.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.29 89.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.6 mm-40 -57.89 -52.9 63.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.92 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.618 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.9 mp -70.69 -33.84 71.33 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.064 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.72 HD11 ' HG ' ' B' ' 8' ' ' LEU . 71.9 mt -67.72 -26.02 65.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.127 0.489 . . . . 0.0 110.833 177.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -72.24 -33.22 67.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.552 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -100.07 -52.75 3.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.924 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.34 -174.285 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.446 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 30.1 Cg_exo . . . . . 0 N--CA 1.461 -0.397 0 CA-C-O 121.084 0.368 . . . . 0.0 112.228 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -98.94 -14.59 19.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.154 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.9 p -124.63 170.3 11.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.479 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.2 tm? -63.48 -49.04 75.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.337 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -58.06 -42.25 85.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.058 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.44 -40.54 87.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.55 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.602 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.7 tm? -68.93 -42.7 76.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.339 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.6 mm? -61.9 -41.46 97.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 40.4 mt-10 -68.57 -29.41 67.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 110.553 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.51 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -64.74 -39.85 94.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.453 -178.493 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.9 pt -97.38 -11.25 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.898 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.74 32.18 9.45 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.837 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.4 mm? -122.23 27.67 7.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.666 0.269 . . . . 0.0 110.688 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.422 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 11.9 pt-20 -57.67 -20.33 32.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.15 -20.78 60.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.248 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -116.08 8.99 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -54.62 -47.11 73.82 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.176 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 40.2 t -63.54 -40.02 95.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.098 177.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 m -54.59 -49.26 70.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.185 0.517 . . . . 0.0 110.444 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.4 mm? -63.32 -53.41 53.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.341 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -53.77 -43.33 69.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.222 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 19' ' ' SER . 93.2 mt -63.23 -35.21 79.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.003 0.43 . . . . 0.0 111.35 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -96.72 11.63 34.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.615 -174.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.59 -3.2 49.67 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.254 170.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.536 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 93.9 m-85 -88.82 76.45 7.97 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.051 0.453 . . . . 0.0 109.908 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -105.47 -12.09 16.14 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.826 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.2 p -127.04 165.18 19.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.375 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.24 -26.67 67.47 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.18 -31.67 72.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.426 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 62.6 m-20 -82.11 -41.49 20.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.138 0.494 . . . . 0.0 109.873 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 35.9 t80 -66.24 -27.98 68.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.571 -175.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -72.73 -4.6 32.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.18 0.514 . . . . 0.0 110.614 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -105.5 0.31 26.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 109.388 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 40' ' ' LEU . 2.3 tm? -75.06 121.04 21.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.611 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.461 ' C ' HD11 ' A' ' 55' ' ' LEU . 36.4 mmt180 -126.18 162.5 25.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.901 -174.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.54 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.7 tt0 -58.73 -39.96 82.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.054 0.454 . . . . 0.0 110.785 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.3 m -58.51 -30.68 67.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.233 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.664 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 56.8 m170 -77.89 -29.73 50.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.017 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 35' ' ' LEU . 8.7 mp -66.81 -32.48 73.78 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.709 0.29 . . . . 0.0 110.419 175.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.546 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 95.9 m-20 -60.61 -36.72 79.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.294 0.569 . . . . 0.0 109.612 173.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.77 -37.25 65.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.274 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 53.0 mt -75.95 -8.78 57.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.232 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.89 23.15 6.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.375 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -86.54 84.88 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.681 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.546 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 24.0 mmt -90.06 -12.38 38.66 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.403 -173.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 3.1 m-20 -59.84 110.0 2.44 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-O 120.958 0.409 . . . . 0.0 110.29 177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 31.7 Cg_exo -58.15 -51.85 6.91 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.919 3.079 . . . . 0.0 114.487 -170.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 35.3 mt-30 -65.63 -39.25 91.27 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.126 0.489 . . . . 0.0 110.089 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -64.62 -38.77 92.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.726 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 53.4 mtp180 -57.07 -57.25 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.184 171.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.55 -42.76 62.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.515 -176.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.602 ' O ' HG21 ' B' ' 56' ' ' THR . 33.0 mtpt -66.46 -50.62 62.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.911 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.9 mt -54.83 -45.93 74.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.523 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.616 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -65.87 -43.12 89.29 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.442 -179.684 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.571 HG21 ' O ' ' B' ' 53' ' ' LYS . 35.5 m -61.3 -40.55 94.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.18 0.514 . . . . 0.0 110.68 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.637 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.81 -45.29 94.5 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.255 176.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -41.41 92.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.6 mm-40 -57.56 -54.38 47.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.736 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.594 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.8 mp -69.43 -35.36 75.63 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.912 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.602 HD11 ' HG ' ' A' ' 8' ' ' LEU . 52.9 mt -64.78 -24.51 67.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.171 0.442 . . . . 0.0 111.346 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.513 HD23 ' NH2' ' B' ' 11' ' ' ARG . 37.1 tp -73.76 -34.61 64.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.77 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -101.06 -34.53 9.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.145 0.498 . . . . 0.0 111.804 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.44 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 98.9 m-85 . . . . . 0 C--N 1.318 -0.794 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.432 -174.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.428 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 27.9 Cg_exo . . . . . 0 N--CA 1.463 -0.32 0 CA-C-O 121.127 0.386 . . . . 0.0 112.317 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -98.96 -14.34 19.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.264 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -124.95 170.48 11.07 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.334 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.519 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -63.86 -48.91 74.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.224 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -57.98 -42.2 84.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.112 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -59.61 -40.32 87.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.586 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.7 tm? -69.03 -42.83 75.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.314 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.528 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.6 mm? -61.7 -41.66 97.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.428 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 40.4 mt-10 -68.23 -29.77 68.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.894 0.378 . . . . 0.0 110.476 176.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.513 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.71 -39.74 94.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.357 -178.152 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.478 ' CG2' HG23 ' A' ' 56' ' ' THR . 41.7 pt -97.36 -11.2 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.803 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.27 32.78 9.27 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.73 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.528 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.3 mm? -122.59 28.03 7.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.774 0.321 . . . . 0.0 110.667 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.428 ' HB3' ' HG2' ' B' ' 10' ' ' GLU . 11.8 pt-20 -58.11 -20.3 38.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.05 -20.48 58.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.21 176.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -116.21 8.9 14.47 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -54.66 -46.93 74.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.151 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 47.3 t -63.67 -40.31 96.51 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.129 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 11.9 m -54.19 -49.35 69.56 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.091 0.472 . . . . 0.0 110.42 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.4 mm? -63.29 -53.52 51.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.244 176.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -53.6 -43.32 68.5 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.267 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 19' ' ' SER . 93.2 mt -63.38 -35.07 79.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.065 0.46 . . . . 0.0 111.298 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -96.6 11.0 36.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.585 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.14 -3.38 47.8 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.245 170.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.539 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 93.4 m-85 -88.7 76.46 8.06 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.132 0.492 . . . . 0.0 109.891 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -105.66 -11.79 16.18 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.677 -174.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -127.29 165.13 20.27 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.324 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.27 -26.49 67.36 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 174.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.32 -31.95 73.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.372 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.469 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 62.7 m-20 -81.83 -41.44 21.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.047 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 36.2 t80 -66.36 -27.82 68.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.617 -175.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.14 -3.87 29.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.316 0.579 . . . . 0.0 110.607 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -105.9 0.04 25.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.773 0.797 . . . . 0.0 109.445 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.717 HD11 HD11 ' B' ' 40' ' ' LEU . 2.3 tm? -74.98 121.01 21.3 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.636 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.466 ' C ' HD11 ' B' ' 55' ' ' LEU . 36.4 mmt180 -126.15 162.37 25.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.924 -174.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.536 ' N ' HD11 ' B' ' 55' ' ' LEU . 44.5 tt0 -58.42 -39.94 81.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.036 0.446 . . . . 0.0 110.811 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.6 m -58.56 -30.8 67.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.512 0.672 . . . . 0.0 110.443 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.654 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 56.5 m170 -77.73 -29.94 51.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.839 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.717 HD11 HD11 ' B' ' 35' ' ' LEU . 8.7 mp -66.67 -32.53 73.9 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 110.421 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . 0.593 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 95.6 m-20 -60.49 -36.8 79.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.568 . . . . 0.0 109.582 173.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.83 -36.86 64.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.394 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 53.3 mt -76.17 -9.32 58.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.2 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 69.14 23.56 6.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.381 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 67.8 mt -86.98 84.89 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.609 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.593 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 24.1 mmt -90.1 -12.16 39.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.46 -173.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.71 109.91 2.34 Favored Pre-proline 0 N--CA 1.464 0.275 0 O-C-N 123.442 0.464 . . . . 0.0 110.396 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 31.8 Cg_exo -58.06 -52.01 6.67 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.976 3.117 . . . . 0.0 114.438 -170.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.599 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 35.8 mt-30 -65.54 -39.4 91.71 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.089 0.471 . . . . 0.0 110.224 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -64.51 -38.7 91.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.692 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 53.3 mtp180 -57.23 -57.11 14.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.182 171.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.507 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.62 -42.78 62.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.604 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 32.9 mtpt -66.29 -50.68 62.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.87 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.9 -45.91 74.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.484 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.626 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.5 OUTLIER -65.94 -42.99 89.34 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.454 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.602 HG21 ' O ' ' A' ' 53' ' ' LYS . 34.6 m -61.44 -40.42 94.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.085 0.469 . . . . 0.0 110.757 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.594 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -61.89 -45.21 94.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 176.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -41.44 92.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.7 mm-40 -57.55 -54.5 46.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.637 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.637 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.8 mp -69.31 -35.42 75.95 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.963 -176.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.615 HD11 ' HG ' ' B' ' 8' ' ' LEU . 53.2 mt -64.82 -24.29 67.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 118.192 0.451 . . . . 0.0 111.346 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.51 HD23 ' NH2' ' A' ' 11' ' ' ARG . 37.6 tp -74.34 -33.78 63.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -101.79 -34.24 9.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.073 0.463 . . . . 0.0 111.793 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.446 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 98.9 m-85 . . . . . 0 C--N 1.319 -0.739 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.457 -174.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo . . . . . 0 N--CA 1.46 -0.449 0 CA-C-O 121.138 0.391 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -100.76 -6.53 24.81 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.62 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.2 p -125.65 163.97 21.63 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.191 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.513 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.6 tm? -65.44 -43.35 90.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.968 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.57 -48.15 75.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.938 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.35 -31.8 73.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.839 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -70.3 -42.22 72.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.533 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.8 mm? -62.17 -39.61 93.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.462 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 44.1 mt-10 -68.86 -30.47 69.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.919 0.39 . . . . 0.0 110.446 176.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -41.44 96.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.979 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.2 pt -92.84 -14.6 8.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.889 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.42 27.49 13.11 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.812 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.8 mm? -119.09 31.39 6.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.96 0.41 . . . . 0.0 110.127 178.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 12.8 pt-20 -59.61 -19.11 46.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.816 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.6 pt-20 -60.87 -19.69 60.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.082 175.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.478 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 78.4 m-70 -120.09 9.91 11.28 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.1 m -54.53 -48.08 72.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 110.475 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 23.0 t -64.72 -37.12 86.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.115 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.0 m -55.19 -49.3 72.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.038 0.447 . . . . 0.0 110.45 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.506 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.7 mm? -64.12 -51.42 64.05 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.444 177.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CD1' HD12 ' A' ' 5' ' ' LEU . 5.7 mp -54.19 -44.93 72.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.087 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 19' ' ' SER . 90.1 mt -67.52 -25.39 65.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.329 -177.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -100.95 11.24 40.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.088 0.471 . . . . 0.0 111.446 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.12 -10.19 56.71 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.793 -0.717 . . . . 0.0 113.083 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.506 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.3 m-85 -83.34 76.24 9.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.114 0.483 . . . . 0.0 109.849 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -108.74 -1.75 19.13 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.467 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.6 p -133.87 157.94 44.68 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.147 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.81 -26.39 65.16 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.766 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.67 -24.4 59.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.014 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.7 -35.43 15.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.513 ' CD2' HD21 ' A' ' 5' ' ' LEU . 44.4 t80 -67.45 -25.8 66.08 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.308 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 18.2 ptpt -69.67 -4.27 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.811 -0.555 . . . . 0.0 110.68 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.71 0.93 33.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.69 175.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -71.28 131.31 43.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.708 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -132.03 166.55 21.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.926 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.531 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.2 tt0 -67.98 -37.49 81.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.081 0.467 . . . . 0.0 109.759 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -60.51 -30.9 70.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.835 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.746 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 65.6 m170 -76.13 -31.24 58.52 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.746 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.593 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 6.9 mp -68.45 -31.83 71.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.83 175.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.12 -32.56 71.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.482 0.658 . . . . 0.0 109.505 172.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 12.0 mm-40 -78.16 -37.5 45.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.353 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 62.7 mt -78.15 -3.3 41.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.287 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 67.77 28.62 7.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.772 0.796 . . . . 0.0 110.168 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 54.0 mt -100.69 77.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.494 178.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.4 -9.13 57.96 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.992 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 21.9 m-20 -60.68 109.53 2.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.569 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 48.9 Cg_exo -56.02 -46.91 27.67 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.963 3.109 . . . . 0.0 114.281 -171.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 51.6 mt-30 -69.34 -36.88 77.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.349 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -66.74 -39.71 88.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 41.8 mtp180 -57.53 -54.77 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.248 171.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.18 -43.64 64.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.397 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 27.9 mtpt -67.72 -53.21 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.139 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.431 HD12 HD21 ' A' ' 40' ' ' LEU . 84.7 mt -56.0 -42.71 76.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.412 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 3.7 mm? -64.9 -43.87 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.558 HG21 ' O ' ' B' ' 53' ' ' LYS . 48.2 m -64.57 -38.57 91.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.061 0.458 . . . . 0.0 110.658 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.604 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.76 -45.0 96.03 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.967 175.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.21 99.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 9.0 mm-40 -57.63 -52.66 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.952 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.0 mp -68.57 -43.93 75.52 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.579 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.477 HD11 ' HG ' ' A' ' 8' ' ' LEU . 77.2 mt -59.92 -27.15 66.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.251 0.478 . . . . 0.0 111.122 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 50.8 tp -62.32 -37.51 85.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.737 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -106.66 -25.77 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.369 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.462 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.322 -0.626 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -170.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo . . . . . 0 N--CA 1.463 -0.293 0 CA-C-O 121.14 0.392 . . . . 0.0 112.197 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -100.87 -7.07 23.87 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.567 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.1 p -125.14 163.7 21.85 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.279 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.6 tm? -65.17 -43.46 91.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.937 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.37 -48.21 74.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.914 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.4 -31.59 72.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.967 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.482 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -70.47 -42.0 72.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.635 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.504 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.8 mm? -62.41 -39.56 93.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.84 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.46 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 44.9 mt-10 -69.07 -30.24 68.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.909 0.385 . . . . 0.0 110.46 176.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.412 ' NH1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.22 -41.48 97.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.087 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.9 pt -93.08 -14.22 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.891 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.09 27.4 13.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.795 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.504 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.7 mm? -119.01 31.16 6.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.903 0.382 . . . . 0.0 110.144 178.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.46 ' HB3' ' HG2' ' B' ' 10' ' ' GLU . 12.7 pt-20 -59.53 -19.04 45.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.758 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 11.6 pt-20 -61.04 -19.63 61.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.025 175.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.467 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 78.7 m-70 -120.12 10.06 11.31 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -175.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.8 m -54.81 -47.58 73.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.945 0.402 . . . . 0.0 110.563 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 22.7 t -65.15 -37.39 87.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.919 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.7 m -54.82 -49.4 71.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.953 0.406 . . . . 0.0 110.491 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.518 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.7 mm? -64.08 -51.56 63.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.38 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' B' ' 5' ' ' LEU . 5.7 mp -54.02 -45.32 71.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.053 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 19' ' ' SER . 90.9 mt -67.1 -25.19 66.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.399 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -101.04 11.06 40.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.183 0.516 . . . . 0.0 111.48 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.2 -10.41 56.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.075 171.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.518 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.1 m-85 -83.11 76.07 9.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.2 0.524 . . . . 0.0 109.896 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -108.67 -1.8 19.19 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.561 -176.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.1 p -133.71 158.03 44.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.347 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 73.6 mt -68.61 -26.77 65.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.705 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.37 -24.28 60.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.056 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -89.93 -35.51 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.144 0.497 . . . . 0.0 109.685 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' B' ' 5' ' ' LEU . 44.1 t80 -67.3 -25.56 66.09 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.3 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 18.3 ptpt -69.67 -4.64 20.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.808 -0.558 . . . . 0.0 110.662 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.24 0.66 34.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.802 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.557 HD11 HD11 ' B' ' 40' ' ' LEU . 3.3 tm? -71.15 131.34 43.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.786 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -132.22 166.31 22.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.9 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.526 ' N ' HD11 ' B' ' 55' ' ' LEU . 43.7 tt0 -67.5 -37.58 83.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.136 0.493 . . . . 0.0 109.861 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 17.9 m -60.77 -30.73 70.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.811 174.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.753 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 65.8 m170 -75.98 -31.35 58.96 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.818 178.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.587 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 6.9 mp -68.55 -31.69 71.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.769 175.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.26 -32.36 71.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.371 0.605 . . . . 0.0 109.453 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 39' ' ' HIS . 11.2 mm-40 -78.35 -37.31 44.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.431 176.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 63.1 mt -78.28 -3.54 43.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.286 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 68.1 28.26 6.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.193 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.454 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 54.4 mt -100.26 77.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.529 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 26.1 mmt -85.34 -8.63 58.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.949 -175.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 22.3 m-20 -61.16 109.83 2.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.571 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 47.0 Cg_exo -56.11 -46.68 29.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.938 3.092 . . . . 0.0 114.243 -171.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 51.5 mt-30 -69.67 -36.76 76.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.934 0.397 . . . . 0.0 110.32 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -66.77 -39.7 87.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.587 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 42.1 mtp180 -57.5 -54.78 42.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.315 171.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.2 -43.57 64.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.438 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 27.9 mtpt -67.68 -53.22 29.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.138 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.412 HD12 HD21 ' B' ' 40' ' ' LEU . 84.3 mt -55.89 -42.89 76.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.327 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 3.7 mm? -64.88 -43.67 92.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.552 HG21 ' O ' ' A' ' 53' ' ' LYS . 50.8 m -64.69 -38.55 91.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.929 0.395 . . . . 0.0 110.501 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.631 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.95 -45.05 96.28 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.889 176.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.13 99.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.031 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 10.5 mm-40 -57.74 -52.66 64.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.882 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.1 mp -68.56 -44.02 75.38 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.665 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' B' ' 8' ' ' LEU . 77.1 mt -59.88 -27.34 66.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.139 0.427 . . . . 0.0 111.061 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' B' ' 59' ' ' GLU . 50.0 tp -61.88 -38.14 87.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.812 177.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -106.07 -26.06 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.27 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.323 -0.574 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -170.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD3' ' OD2' ' B' ' 63' ' ' ASP . 3.2 Cg_exo . . . . . 0 N--CA 1.459 -0.529 0 CA-C-O 120.95 0.313 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -102.3 -22.35 14.15 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.193 0.521 . . . . 0.0 109.911 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.48 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 48.8 p -114.87 171.07 7.87 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.501 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.5 tm? -63.22 -47.11 83.88 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.28 -178.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.45 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 53.7 t-80 -53.37 -46.67 69.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.369 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.48 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 24.9 mm-40 -68.46 -33.49 74.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.435 -176.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.56 ' HG ' HD11 ' A' ' 61' ' ' LEU . 3.0 tm? -66.76 -42.73 85.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.1 mm? -62.2 -38.25 88.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.09 -31.78 69.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.832 0.349 . . . . 0.0 110.556 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HD2' ' HB3' ' B' ' 59' ' ' GLU . 14.3 tpp180 -61.2 -43.75 98.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.487 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.3 pt -91.18 -12.86 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.873 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.79 20.45 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.544 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.9 mm? -118.35 30.32 7.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.926 0.394 . . . . 0.0 110.272 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.509 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.3 pt-20 -59.28 -19.26 44.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -58.21 -21.69 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.047 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -121.22 12.69 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.987 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.509 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 13.3 m -56.52 -47.11 80.07 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.452 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.492 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.3 m -64.13 -35.78 81.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.413 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -58.24 -51.87 67.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.062 0.458 . . . . 0.0 110.1 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.1 mm? -63.19 -52.87 60.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.14 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 tp -52.16 -48.48 64.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.969 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 19' ' ' SER . 92.9 mt -70.87 -26.93 63.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.471 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -96.14 18.8 12.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.624 -176.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.31 -7.54 56.53 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.704 -0.76 . . . . 0.0 113.0 170.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 95.0 m-85 -90.92 82.3 5.65 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.269 0.556 . . . . 0.0 109.963 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -109.5 -17.57 13.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.932 -174.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 p -125.25 168.79 12.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -68.69 -27.45 65.97 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.37 -28.89 67.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.545 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.484 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 61.1 m-20 -78.63 -48.07 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.009 0.433 . . . . 0.0 109.856 175.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CD2' HD21 ' A' ' 5' ' ' LEU . 42.5 t80 -63.38 -27.93 69.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.909 -173.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 17.6 ptpt -67.12 -9.4 39.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.012 -0.43 . . . . 0.0 111.021 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -100.07 2.81 43.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.392 0.615 . . . . 0.0 110.215 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.3 tm? -71.17 132.26 44.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.444 -178.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -128.64 162.78 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.12 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' N ' HD11 ' A' ' 55' ' ' LEU . 45.1 tt0 -65.86 -40.78 91.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.931 0.396 . . . . 0.0 110.249 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 38.8 m -61.78 -26.09 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.096 176.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.755 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 37.3 m170 -75.45 -35.0 61.0 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 5.4 mp -65.75 -34.33 77.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.538 174.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.2 m-20 -58.17 -36.52 73.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.424 0.63 . . . . 0.0 109.909 171.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 38' ' ' THR . 18.8 mm-40 -74.04 -39.89 63.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.555 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.755 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 49.2 mt -78.25 -5.58 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.971 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 66.97 32.29 6.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.493 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 64.7 mt -94.62 79.99 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 175.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.412 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 2.2 mmt -88.08 -11.04 48.29 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.455 -172.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 9.1 m-20 -59.12 110.1 2.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.475 177.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 32.0 Cg_exo -58.33 -49.15 13.02 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.893 3.062 . . . . 0.0 114.391 -170.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.5 mt-30 -68.58 -35.08 76.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.091 0.472 . . . . 0.0 109.945 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -67.63 -39.43 84.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.405 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HG2' HD23 ' A' ' 40' ' ' LEU . 41.9 mtp180 -57.87 -53.54 57.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.262 171.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.454 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.57 -43.11 65.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.364 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.591 ' O ' HG21 ' B' ' 56' ' ' THR . 29.0 mtpt -66.39 -51.73 54.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.975 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -55.73 -43.93 77.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.402 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.514 HD11 ' N ' ' A' ' 37' ' ' GLU . 3.9 mm? -65.8 -40.67 92.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.433 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.568 HG21 ' O ' ' B' ' 53' ' ' LYS . 40.8 m -65.17 -41.49 94.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.07 0.462 . . . . 0.0 110.633 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.33 -43.51 98.74 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.113 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.59 92.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.526 ' HB3' ' HD2' ' B' ' 11' ' ' ARG . 30.4 mm-40 -57.98 -48.62 79.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.529 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.636 HD22 ' HA ' ' B' ' 57' ' ' ALA . 7.3 mp -68.4 -48.24 65.2 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.44 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.56 HD11 ' HG ' ' A' ' 8' ' ' LEU . 60.9 mt -56.77 -25.89 56.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.622 0.248 . . . . 0.0 111.236 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.04 -42.18 76.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.48 ' OD2' ' HD3' ' B' ' 2' ' ' PRO . 40.6 m-20 -107.87 -28.79 9.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.037 0.446 . . . . 0.0 112.142 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.476 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 98.2 m-85 . . . . . 0 C--N 1.319 -0.748 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -169.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.48 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 2.8 Cg_exo . . . . . 0 N--CA 1.459 -0.531 0 CA-C-O 120.952 0.313 . . . . 0.0 111.798 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -102.64 -22.19 14.01 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.178 0.513 . . . . 0.0 109.972 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.471 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 48.6 p -114.57 171.65 7.51 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.508 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.5 tm? -63.89 -46.98 82.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.098 -178.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.447 ' HA ' ' CG2' ' B' ' 18' ' ' THR . 53.6 t-80 -53.37 -46.69 69.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.405 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.471 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.2 mm-40 -68.42 -33.5 74.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.498 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.57 ' HG ' HD11 ' B' ' 61' ' ' LEU . 3.0 tm? -66.82 -42.7 85.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.496 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -62.23 -38.17 88.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -70.07 -31.92 69.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.769 0.318 . . . . 0.0 110.428 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.526 ' HD2' ' HB3' ' A' ' 59' ' ' GLU . 14.3 tpp180 -61.11 -43.97 98.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.587 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.488 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.0 pt -90.93 -13.18 9.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.791 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.13 28.52 20.23 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.556 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.496 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.9 mm? -118.14 30.17 7.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.813 0.34 . . . . 0.0 110.212 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.504 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 12.3 pt-20 -59.21 -18.88 40.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.577 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -59.06 -20.2 51.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.142 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -122.19 12.94 10.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.996 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.504 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 14.3 m -56.71 -47.17 80.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.406 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.48 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 15.2 m -63.99 -36.05 82.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.312 178.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -57.96 -51.97 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.033 0.444 . . . . 0.0 110.064 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.509 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.0 mm? -63.2 -52.81 60.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.239 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 tp -52.15 -48.58 64.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.826 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' B' ' 19' ' ' SER . 92.8 mt -70.72 -27.17 63.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.515 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -95.98 18.6 13.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.974 0.416 . . . . 0.0 111.605 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.68 -7.9 56.0 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.009 170.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 95.1 m-85 -90.67 82.51 5.77 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.313 0.578 . . . . 0.0 110.146 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -109.62 -17.53 13.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.966 -173.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 53.0 p -125.34 169.16 12.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.458 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.79 -26.9 65.44 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.26 -28.42 66.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.542 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 58.1 m-20 -78.92 -48.0 15.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.075 0.464 . . . . 0.0 109.8 175.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.423 ' CD2' HD21 ' B' ' 5' ' ' LEU . 42.5 t80 -63.29 -27.9 69.65 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.926 -173.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.463 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 17.7 ptpt -67.21 -9.29 38.78 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.143 178.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -100.24 3.05 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.329 0.585 . . . . 0.0 110.108 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.464 HD11 HD11 ' B' ' 40' ' ' LEU . 3.3 tm? -71.36 132.03 44.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.33 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -128.62 162.82 26.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.063 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.505 ' N ' HD11 ' B' ' 55' ' ' LEU . 45.3 tt0 -65.78 -40.64 92.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 0.0 110.4 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 51.7 m -62.18 -25.63 67.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.351 0.596 . . . . 0.0 110.226 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.75 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 37.8 m170 -75.52 -34.84 60.81 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.488 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 5.4 mp -66.01 -34.33 77.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.355 174.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' B' ' 38' ' ' THR . 6.1 m-20 -58.26 -36.49 73.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.336 0.589 . . . . 0.0 109.761 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 38' ' ' THR . 22.7 mm-40 -73.91 -40.01 63.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.63 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 48.7 mt -78.17 -5.42 51.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.068 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 67.11 31.65 6.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.488 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 64.4 mt -94.23 79.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.966 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 2.1 mmt -87.61 -11.22 49.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.571 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -58.85 110.08 2.37 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.362 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.41 -49.46 12.11 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.936 3.091 . . . . 0.0 114.342 -170.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.8 mt-30 -68.28 -35.1 77.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.061 0.458 . . . . 0.0 109.977 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -67.72 -39.53 84.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.383 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.451 ' HG2' HD23 ' B' ' 40' ' ' LEU . 42.3 mtp180 -57.46 -53.84 53.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.275 171.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.454 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.55 -43.05 64.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.252 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 29.1 mtpt -66.34 -51.76 54.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.991 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 88.7 mt -55.73 -44.07 77.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.372 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.505 HD11 ' N ' ' B' ' 37' ' ' GLU . 3.9 mm? -65.7 -40.66 92.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.421 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.591 HG21 ' O ' ' A' ' 53' ' ' LYS . 40.6 m -65.29 -41.38 94.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.13 0.49 . . . . 0.0 110.631 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.636 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -61.33 -43.53 98.71 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.073 177.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.59 92.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.791 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.503 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 32.2 mm-40 -57.87 -48.58 79.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.505 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.3 mp -68.6 -48.14 64.9 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.372 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.57 HD11 ' HG ' ' B' ' 8' ' ' LEU . 60.9 mt -56.9 -25.87 57.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.761 0.255 . . . . 0.0 111.281 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.95 -42.12 75.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 177.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.464 ' OD2' ' HD3' ' A' ' 2' ' ' PRO . 38.1 m-20 -108.32 -28.02 9.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.171 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.476 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . 98.2 m-85 . . . . . 0 C--N 1.319 -0.744 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -169.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo . . . . . 0 C--O 1.233 0.256 0 CA-C-O 121.205 0.419 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -87.42 -20.54 26.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.431 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.617 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 70.9 p -123.41 170.13 10.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.184 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.2 tm? -65.49 -43.11 91.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.87 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -53.76 -47.19 70.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.088 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.617 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 26.7 mm-40 -67.04 -31.8 72.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.349 -177.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.516 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.9 tm? -69.63 -43.32 72.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.118 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.1 mm? -63.0 -41.16 99.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.867 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.435 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 42.4 mt-10 -67.67 -28.01 67.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.008 0.432 . . . . 0.0 110.369 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.551 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -67.18 -44.62 79.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.183 -178.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.2 pt -93.02 -6.78 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.901 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.7 28.28 24.51 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.787 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.535 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.5 mm? -119.46 28.41 8.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.847 0.356 . . . . 0.0 110.569 177.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.489 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.6 pt-20 -59.42 -17.31 29.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.831 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.63 -23.12 67.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.091 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -114.34 7.46 16.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.876 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.489 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 7.2 m -54.88 -44.02 73.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.794 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 29.4 m -57.66 -42.26 83.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.874 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -56.54 -48.08 78.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.93 0.395 . . . . 0.0 110.712 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -63.74 -52.47 60.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.169 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' CD1' HD12 ' A' ' 5' ' ' LEU . 6.0 mp -55.38 -41.37 72.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.232 -178.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 19' ' ' SER . 89.2 mt -69.86 -26.62 64.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.856 0.36 . . . . 0.0 111.336 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -100.6 12.34 37.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.968 0.413 . . . . 0.0 111.373 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.44 -8.95 58.86 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.111 171.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.491 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 87.1 m-85 -83.7 73.34 10.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.228 0.537 . . . . 0.0 109.757 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -104.61 -9.58 18.15 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.165 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.8 p -128.2 160.43 32.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.277 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' ' 8' ' ' LEU . 69.2 mt -69.01 -27.62 65.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.386 0.613 . . . . 0.0 109.686 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.496 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 44.3 mt-10 -68.52 -27.98 66.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.757 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -90.41 -38.34 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.094 0.474 . . . . 0.0 110.094 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 66.0 t80 -64.88 -26.93 68.54 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.054 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 17.2 ptpt -67.73 -12.44 60.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.184 0.516 . . . . 0.0 110.965 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -96.79 -4.3 40.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.678 0.751 . . . . 0.0 109.427 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 40' ' ' LEU . 2.9 tm? -74.97 123.66 25.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.045 177.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -131.32 174.68 9.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.052 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.96 -45.76 91.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.1 m -59.42 -27.26 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.322 0.582 . . . . 0.0 110.323 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.725 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 13.3 m170 -76.64 -34.52 58.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.888 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 35' ' ' LEU . 6.7 mp -67.26 -31.88 72.52 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 176.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.401 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 88.8 m-20 -60.21 -33.17 71.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.303 0.573 . . . . 0.0 109.625 173.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -78.06 -38.2 44.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.435 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 60.7 mt -77.07 -3.11 37.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.354 -177.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.6 t30 71.28 14.56 6.51 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.623 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.452 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 61.2 mt -82.57 77.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.668 0.746 . . . . 0.0 109.226 177.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.401 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 3.8 mmt -84.18 -3.13 57.94 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.341 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.571 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 62.4 m-20 -58.15 107.01 0.79 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.882 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.65 -52.08 4.23 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.399 2.733 . . . . 0.0 114.077 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.571 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.4 mt-30 -71.64 -34.24 69.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.329 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 60.7 m170 -67.16 -39.5 86.49 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.822 178.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 32.0 mtp180 -54.69 -55.11 33.22 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.792 170.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.503 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.68 -44.29 63.06 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.459 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 30.4 mtpt -68.19 -53.93 21.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.147 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -53.11 -45.8 68.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.102 0.477 . . . . 0.0 111.335 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.655 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -64.84 -46.25 82.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.733 -178.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.529 HG21 ' O ' ' B' ' 53' ' ' LYS . 81.2 m -59.9 -40.04 87.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.012 0.434 . . . . 0.0 110.889 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -58.88 -48.72 80.4 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.052 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.5 91.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.286 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 16.0 mm-40 -56.36 -54.9 40.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.26 0.552 . . . . 0.0 110.046 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' B' ' 57' ' ' ALA . 7.6 mp -67.39 -40.3 85.64 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.78 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 8' ' ' LEU . 95.2 mt -64.28 -21.87 66.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.789 0.328 . . . . 0.0 111.725 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.584 HD23 ' NH2' ' B' ' 11' ' ' ARG . 34.4 tp -74.55 -26.92 60.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.949 0.404 . . . . 0.0 110.563 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -105.61 -45.31 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.859 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 C--N 1.319 -0.728 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.034 -174.754 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo . . . . . 0 N--CA 1.463 -0.28 0 CA-C-O 121.127 0.386 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -87.39 -20.21 27.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.447 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.612 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 73.9 p -123.54 170.22 10.63 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.064 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.529 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.3 tm? -65.73 -42.98 90.38 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.74 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -53.6 -47.08 70.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.215 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.612 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 31.9 mm-40 -67.22 -31.78 72.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 -177.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.508 HD11 ' HB1' ' B' ' 57' ' ' ALA . 2.9 tm? -69.71 -43.27 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.156 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.535 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.1 mm? -63.01 -41.25 99.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.801 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 42.1 mt-10 -67.5 -28.16 67.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.368 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.584 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -67.18 -44.41 79.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.198 -178.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.493 ' CG2' HG23 ' A' ' 56' ' ' THR . 38.9 pt -93.0 -7.04 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.867 -176.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.69 28.24 24.65 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.944 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.535 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.5 mm? -119.25 28.35 8.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 120.815 0.34 . . . . 0.0 110.554 177.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.494 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.9 pt-20 -59.6 -16.98 29.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.79 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.07 -22.35 66.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.181 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -115.02 7.55 15.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.882 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 7.2 m -54.85 -43.92 73.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 110.764 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.538 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 24.1 m -58.18 -42.14 85.44 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.723 178.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -56.27 -48.26 76.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.0 110.685 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.492 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -63.68 -52.42 60.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.234 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.433 ' CD1' HD12 ' B' ' 5' ' ' LEU . 6.0 mp -55.51 -41.51 73.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.153 -178.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.7 mt -69.56 -26.81 64.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.402 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -100.33 11.97 38.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.114 0.483 . . . . 0.0 111.406 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.53 -8.6 58.53 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.02 171.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.492 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 87.2 m-85 -83.84 73.45 10.31 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.157 0.504 . . . . 0.0 109.76 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -104.85 -9.63 17.89 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.226 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 74.1 p -128.04 160.09 33.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.286 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' B' ' 8' ' ' LEU . 67.9 mt -68.66 -27.62 66.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.368 0.604 . . . . 0.0 109.824 176.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.484 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 44.1 mt-10 -68.45 -28.15 66.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.883 178.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -90.02 -38.27 13.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.168 0.509 . . . . 0.0 110.055 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.538 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 66.0 t80 -65.11 -27.02 68.46 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.928 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 17.2 ptpt -67.72 -12.73 61.16 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.879 -0.513 . . . . 0.0 110.957 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -96.44 -4.24 42.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.582 0.706 . . . . 0.0 109.419 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.581 HD11 HD11 ' B' ' 40' ' ' LEU . 2.9 tm? -75.08 123.76 25.79 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.073 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -131.3 174.82 9.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.958 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.06 -45.72 91.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 -177.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 26.3 m -59.4 -27.43 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.332 0.587 . . . . 0.0 110.288 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.731 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 13.3 m170 -76.52 -34.47 58.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.83 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.581 HD11 HD11 ' B' ' 35' ' ' LEU . 6.7 mp -67.32 -31.98 72.63 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.777 176.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . 0.521 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 88.7 m-20 -60.03 -33.6 72.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.391 0.615 . . . . 0.0 109.63 173.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.52 -38.47 48.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.481 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 61.3 mt -76.81 -3.53 38.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.378 -177.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 9.4 t30 71.83 14.3 5.98 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 110.465 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.472 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 61.1 mt -82.31 77.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.675 0.75 . . . . 0.0 109.205 177.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.521 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 4.0 mmt -84.24 -3.1 57.98 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.276 -177.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.551 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 62.8 m-20 -58.4 106.81 0.76 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.809 175.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.63 -51.82 4.58 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.418 2.746 . . . . 0.0 114.139 -170.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.577 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 52.6 mt-30 -71.79 -34.26 69.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.079 0.466 . . . . 0.0 110.238 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.551 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 60.4 m170 -67.1 -39.66 86.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.737 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.552 ' O ' HD22 ' B' ' 55' ' ' LEU . 32.5 mtp180 -54.47 -55.2 31.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.73 170.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.508 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.72 -44.38 63.21 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.424 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 30.4 mtpt -68.12 -53.81 22.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.216 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 77.9 mt -53.23 -45.85 68.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.066 0.46 . . . . 0.0 111.242 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.658 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -64.77 -46.35 82.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.702 -178.665 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 53' ' ' LYS . 82.9 m -59.83 -39.93 86.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.042 0.449 . . . . 0.0 110.855 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.623 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.1 -48.43 81.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.053 176.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.58 92.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.277 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 16.2 mm-40 -56.25 -54.95 39.3 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.407 0.622 . . . . 0.0 110.126 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.6 mp -67.46 -40.13 85.35 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.783 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.46 HD11 ' HG ' ' B' ' 8' ' ' LEU . 94.8 mt -64.42 -21.76 66.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.865 0.364 . . . . 0.0 111.717 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.551 HD23 ' NH2' ' A' ' 11' ' ' ARG . 34.2 tp -74.4 -27.33 60.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.043 0.449 . . . . 0.0 110.486 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -105.28 -45.23 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.934 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.32 -0.713 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.072 -174.628 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo . . . . . 0 N--CA 1.461 -0.392 0 CA-C-O 120.988 0.328 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -101.36 -14.78 17.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.067 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.477 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 24.3 p -131.37 173.8 10.71 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.524 -178.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.3 tm? -63.42 -51.47 65.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.961 -174.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -53.15 -42.08 65.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.405 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.477 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 28.4 mm-40 -68.9 -33.38 73.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.38 -176.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.442 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.9 tm? -69.49 -41.12 76.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.806 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.9 mm? -62.37 -40.95 98.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.834 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 46.9 mt-10 -66.92 -33.47 75.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.086 0.469 . . . . 0.0 110.406 176.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.552 HH22 HD23 ' B' ' 62' ' ' LEU . 0.1 OUTLIER -62.2 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.388 -179.028 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.512 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.6 pt -92.35 -12.48 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.786 -177.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.16 33.08 9.06 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.944 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.2 mm? -124.97 30.63 5.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.72 0.295 . . . . 0.0 110.599 177.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 10.6 pt-20 -59.55 -19.8 51.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.676 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.62 -21.38 62.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.299 175.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -117.07 9.8 13.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.86 -175.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.4 m -57.07 -48.39 78.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.758 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 19.0 m -60.67 -35.26 75.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.278 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 m -58.85 -49.18 78.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.116 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -60.0 -52.46 65.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.072 176.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' CD1' HD12 ' A' ' 5' ' ' LEU . 7.2 mp -54.64 -42.68 71.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.517 . . . . 0.0 112.058 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.8 mt -68.5 -25.88 65.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.948 0.404 . . . . 0.0 111.338 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.5 ' ND2' ' HG ' ' A' ' 43' ' ' LEU . 31.5 m-80 -99.72 12.36 36.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.238 0.542 . . . . 0.0 111.257 -178.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.5 -10.94 59.62 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.781 171.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 94.1 m-85 -83.85 72.86 10.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.191 0.519 . . . . 0.0 110.15 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -101.92 -6.45 23.48 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.119 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -131.77 160.46 35.49 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.165 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.18 -27.1 65.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.432 0.634 . . . . 0.0 109.301 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 25.7 tp10 -66.77 -31.54 72.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.692 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -87.03 -40.24 14.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.14 0.495 . . . . 0.0 109.806 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD1' HD21 ' A' ' 5' ' ' LEU . 55.5 t80 -63.4 -27.97 69.67 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.975 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 16.7 ptpt -66.95 -4.66 10.1 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.029 -0.419 . . . . 0.0 111.452 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -105.49 5.07 31.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.236 0.541 . . . . 0.0 110.285 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 3.4 tm? -72.11 126.04 28.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.492 -177.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.493 ' HD3' ' O ' ' A' ' 35' ' ' LEU . 20.6 mmt180 -128.26 169.71 13.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.424 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HB2' HD21 ' A' ' 55' ' ' LEU . 43.9 tt0 -60.96 -46.79 89.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.827 0.346 . . . . 0.0 110.777 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 12.0 m -57.15 -25.26 58.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.802 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -76.42 -42.66 43.4 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.367 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.566 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 2.1 mp -61.33 -30.35 70.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.037 177.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.5 m-20 -55.23 -38.48 68.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.003 171.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.59 -35.83 39.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.661 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.5 ' HG ' ' ND2' ' A' ' 24' ' ' ASN . 11.0 mp -76.54 -2.21 31.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.524 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.39 18.81 5.45 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.833 0.825 . . . . 0.0 110.072 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.566 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 57.7 mt -91.75 77.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.401 0.62 . . . . 0.0 109.422 177.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.4 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 2.0 mmt -82.7 -10.65 58.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.399 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.618 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 54.6 m-20 -51.71 105.95 0.59 Allowed Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.349 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.65 -49.25 10.68 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.578 2.852 . . . . 0.0 114.009 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.9 mt-30 -70.14 -36.92 75.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.128 0.49 . . . . 0.0 110.204 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 23.2 m170 -67.26 -40.01 86.15 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.481 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HA ' HD23 ' A' ' 40' ' ' LEU . 42.5 mtp180 -55.49 -52.58 63.19 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.027 171.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.521 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.01 -42.5 65.69 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.131 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' O ' HG21 ' B' ' 56' ' ' THR . 27.9 mtpt -68.71 -53.81 19.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.7 mt -54.99 -42.77 72.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.29 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.583 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -63.28 -48.27 78.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.477 179.316 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.539 HG21 ' O ' ' B' ' 53' ' ' LYS . 54.9 m -61.26 -40.94 95.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.021 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.646 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -58.97 -48.03 83.0 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.889 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.32 97.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 39.9 mm-40 -56.31 -55.36 34.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.313 0.578 . . . . 0.0 110.289 177.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.7 mp -66.05 -45.74 80.29 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.547 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.439 HD11 ' HG ' ' A' ' 8' ' ' LEU . 83.7 mt -59.69 -20.75 58.35 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.498 HD23 HH22 ' B' ' 11' ' ' ARG . 31.7 tp -74.98 -27.45 60.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.014 0.435 . . . . 0.0 110.795 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -110.02 -33.53 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.833 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.598 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.221 -173.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo . . . . . 0 N--CA 1.46 -0.447 0 CA-C-O 121.072 0.364 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -101.2 -14.72 17.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.056 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . 0.465 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 24.0 p -131.54 173.59 10.96 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.515 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.486 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -63.28 -51.67 65.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.87 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -53.01 -41.95 65.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.487 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.465 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 28.6 mm-40 -69.09 -33.25 73.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.49 -176.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.454 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -69.44 -41.19 76.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.778 179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.9 mm? -62.37 -40.69 97.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.848 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.408 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 46.8 mt-10 -67.26 -33.2 74.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.379 . . . . 0.0 110.375 176.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.498 HH22 HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -62.3 -44.12 97.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.326 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.517 ' CG2' HG23 ' A' ' 56' ' ' THR . 39.8 pt -92.15 -12.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.614 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.88 33.29 9.13 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.936 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.524 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.2 mm? -124.86 30.25 5.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.774 0.321 . . . . 0.0 110.661 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.413 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 10.8 pt-20 -59.11 -19.99 49.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.739 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -60.19 -21.97 62.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.37 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -116.74 9.67 14.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.95 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 9.4 m -57.04 -48.27 78.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.03 0.443 . . . . 0.0 110.774 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 17.4 m -60.61 -35.47 76.23 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.245 177.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -58.79 -49.14 78.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 0.0 110.111 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -60.06 -52.46 65.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.055 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -54.6 -42.73 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.032 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 19' ' ' SER . 92.0 mt -68.62 -25.79 65.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.997 0.427 . . . . 0.0 111.269 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.508 ' ND2' ' HG ' ' B' ' 43' ' ' LEU . 33.0 m-80 -99.74 12.7 35.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.236 0.541 . . . . 0.0 111.102 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.07 -10.77 60.29 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.834 171.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.497 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 94.0 m-85 -83.92 72.9 10.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.194 0.521 . . . . 0.0 110.206 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -102.11 -6.07 23.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.033 -177.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.9 p -131.98 160.43 35.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.108 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.13 -27.29 65.44 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 26.5 tp10 -66.87 -31.3 71.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.586 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.98 -40.65 14.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.124 0.488 . . . . 0.0 109.846 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.437 ' CD1' HD21 ' B' ' 5' ' ' LEU . 55.3 t80 -63.11 -28.08 69.83 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.006 -177.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 16.7 ptpt -66.75 -4.63 9.5 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.022 -0.424 . . . . 0.0 111.465 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -105.48 4.99 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.2 0.524 . . . . 0.0 110.286 176.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.486 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 3.4 tm? -72.16 125.9 28.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.402 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' B' ' 35' ' ' LEU . 20.5 mmt180 -128.17 170.05 13.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 -178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.562 ' HB2' HD21 ' B' ' 55' ' ' LEU . 43.3 tt0 -61.43 -46.54 89.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.6 m -57.58 -25.03 59.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.725 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -76.32 -42.79 43.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.432 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.572 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 2.1 mp -61.21 -30.38 70.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.124 177.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.34 -38.27 68.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.013 171.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -79.99 -35.03 38.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' ND2' ' B' ' 24' ' ' ASN . 10.9 mp -77.17 -2.16 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.434 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.21 18.76 5.64 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.749 0.785 . . . . 0.0 110.233 178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.572 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 57.5 mt -91.62 77.49 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.452 177.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' B' ' 46' ' ' MET . 2.0 mmt -83.03 -10.79 58.57 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.236 -177.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 52.0 m-20 -51.33 105.9 0.58 Allowed Pre-proline 0 C--O 1.224 -0.246 0 O-C-N 124.222 0.951 . . . . 0.0 110.355 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 33.6 Cg_exo -59.52 -49.46 10.4 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.468 2.778 . . . . 0.0 114.088 -171.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.532 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.1 mt-30 -69.96 -36.84 75.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.07 0.462 . . . . 0.0 110.283 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.644 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 22.7 m170 -67.26 -40.05 86.17 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.49 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.491 ' HA ' HD23 ' B' ' 40' ' ' LEU . 42.3 mtp180 -55.51 -52.31 64.1 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.109 171.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.504 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.31 -42.58 66.81 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.159 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 56' ' ' THR . 28.1 mtpt -68.59 -53.73 20.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.128 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -55.04 -42.76 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.28 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.1 OUTLIER -63.4 -48.13 79.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.465 179.303 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.565 HG21 ' O ' ' A' ' 53' ' ' LYS . 55.2 m -61.27 -41.05 96.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.985 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -58.84 -48.03 82.78 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.893 176.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.21 96.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.346 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 39.3 mm-40 -56.41 -55.12 37.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.184 0.516 . . . . 0.0 110.346 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.7 mp -66.31 -45.62 79.71 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.587 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.454 HD11 ' HG ' ' B' ' 8' ' ' LEU . 84.7 mt -59.74 -20.58 57.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.552 HD23 HH22 ' A' ' 11' ' ' ARG . 31.7 tp -75.26 -27.25 59.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.773 0.32 . . . . 0.0 110.789 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -110.25 -33.66 6.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.13 0.49 . . . . 0.0 111.73 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.598 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 98.3 m-85 . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.287 -173.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.432 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 22.2 Cg_exo . . . . . 0 CA--C 1.516 -0.4 0 CA-C-O 121.329 0.47 . . . . 0.0 113.161 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -99.8 -15.37 18.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.654 174.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.8 p -127.11 170.21 12.6 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.73 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.508 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.3 tm? -61.18 -53.44 56.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.611 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.442 ' CD2' HG21 ' A' ' 18' ' ' THR . 18.2 t-160 -56.36 -42.03 77.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -58.94 -42.46 89.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.798 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.8 tm? -67.61 -43.07 81.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.1 mm? -60.35 -41.46 93.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.98 -30.07 68.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -48.57 72.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.861 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' CG2' HG23 ' B' ' 56' ' ' THR . 36.8 pt -86.04 -15.39 10.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.653 -176.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.21 34.13 7.3 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.787 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.2 mm? -123.22 32.38 5.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.955 0.407 . . . . 0.0 110.508 176.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 10.9 pt-20 -60.05 -18.86 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.752 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.0 -23.5 65.45 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.986 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -114.05 9.05 17.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.941 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.476 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 12.9 m -56.31 -47.7 78.18 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 14.0 t -61.87 -35.35 78.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.175 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -57.17 -54.52 45.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.947 0.403 . . . . 0.0 110.269 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.5 mm? -61.93 -50.91 70.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.142 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.2 -45.48 72.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.067 -175.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 19' ' ' SER . 68.6 mt -74.63 -28.82 61.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.446 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -92.37 10.31 30.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.009 0.433 . . . . 0.0 111.547 -175.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.41 -12.37 47.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.051 171.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.497 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.4 m-85 -83.27 69.92 10.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.357 0.598 . . . . 0.0 109.479 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -98.44 -10.56 23.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.653 -174.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.8 p -130.46 159.18 37.82 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.338 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.75 -27.3 68.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.461 0.648 . . . . 0.0 109.361 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.29 -33.5 76.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.826 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.7 -36.03 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.196 0.522 . . . . 0.0 109.932 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.471 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 57.0 t80 -64.91 -28.5 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.729 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.22 -8.99 50.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.902 -0.499 . . . . 0.0 110.831 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -101.34 -1.26 33.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.498 0.666 . . . . 0.0 109.639 175.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 40' ' ' LEU . 2.0 tm? -73.74 115.53 13.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.028 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.454 HH22 HD22 ' A' ' 62' ' ' LEU . 30.3 mmt180 -122.69 162.12 22.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.256 -172.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.8 tt0 -53.97 -44.81 71.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.908 0.385 . . . . 0.0 111.577 -173.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 21.0 m -62.14 -26.22 68.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.291 0.567 . . . . 0.0 110.472 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.752 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 51.1 m170 -75.78 -36.8 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 35' ' ' LEU . 8.5 mp -61.88 -37.11 83.34 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.857 0.361 . . . . 0.0 110.1 174.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.8 m-20 -55.59 -40.89 72.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.958 172.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 38' ' ' THR . 39.3 mt-10 -70.87 -37.73 73.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.755 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 49.6 mt -80.21 -2.0 43.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.298 -177.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 t30 65.57 26.1 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.48 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -85.4 77.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.436 ' O ' ' HD3' ' A' ' 48' ' ' PRO . 5.0 mmt -95.37 28.53 2.86 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.44 -174.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 42.0 m-20 -92.7 98.8 2.4 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.283 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.47 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 72.3 Cg_exo -50.03 -54.97 4.58 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 123.386 2.724 . . . . 0.0 114.543 -167.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 48.4 mt-30 -68.31 -37.42 80.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.26 0.552 . . . . 0.0 110.389 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.545 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 25.6 m170 -66.26 -38.12 87.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.618 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.51 ' O ' HD22 ' A' ' 55' ' ' LEU . 48.7 mtp180 -55.02 -57.71 10.59 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.828 170.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.605 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.15 -40.75 61.84 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.473 -176.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.61 ' CG ' ' HB1' ' B' ' 52' ' ' ALA . 32.8 mtpt -64.83 -51.83 59.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.811 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.0 mt -54.19 -46.12 72.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.603 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.588 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -65.69 -41.24 92.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.26 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.572 HG21 ' O ' ' B' ' 53' ' ' LYS . 42.1 m -63.16 -39.37 94.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.153 0.502 . . . . 0.0 110.561 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.26 -47.75 84.67 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.938 175.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.28 79.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.173 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 6.2 mm-40 -60.51 -54.53 44.41 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.084 178.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.7 mp -71.67 -29.61 64.79 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.781 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.504 HD11 ' HG ' ' A' ' 8' ' ' LEU . 87.6 mt -69.44 -24.23 63.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.255 0.55 . . . . 0.0 110.49 175.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.454 HD22 HH22 ' A' ' 36' ' ' ARG . 52.2 tp -74.31 -43.67 55.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.587 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -91.14 -41.81 10.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' B' ' 2' ' ' PRO . 97.1 m-85 . . . . . 0 C--N 1.319 -0.734 0 CA-C-O 120.982 0.42 . . . . 0.0 110.765 -175.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.425 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 22.1 Cg_exo . . . . . 0 CA--C 1.516 -0.396 0 CA-C-O 121.32 0.467 . . . . 0.0 113.152 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -99.5 -15.72 18.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.662 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 44.3 p -126.95 170.26 12.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.802 -176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.494 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -61.33 -53.34 57.98 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.588 -177.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.446 ' CD2' HG21 ' B' ' 18' ' ' THR . 18.2 t-160 -56.38 -42.02 77.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -178.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -59.04 -42.38 90.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.722 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' B' ' 57' ' ' ALA . 2.8 tm? -67.48 -43.16 81.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.393 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.518 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -60.35 -41.62 94.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.737 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.401 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 47.3 mt-10 -68.85 -30.3 68.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.891 0.377 . . . . 0.0 110.779 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -48.77 72.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.864 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' A' ' 56' ' ' THR . 36.7 pt -85.74 -15.75 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.743 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.54 34.08 7.19 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.892 174.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.518 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.2 mm? -123.15 32.41 5.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.955 0.407 . . . . 0.0 110.507 176.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.481 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.1 pt-20 -60.08 -18.51 47.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.728 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.19 -23.45 65.6 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.054 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -114.24 9.05 16.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.875 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.481 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 12.0 m -56.27 -47.44 78.58 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.743 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.557 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 13.1 t -62.15 -35.02 77.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.211 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.1 m -57.71 -54.25 48.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.036 0.446 . . . . 0.0 110.272 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.5 mm? -61.76 -51.15 69.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.055 177.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.31 -45.09 72.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.095 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' B' ' 19' ' ' SER . 68.1 mt -74.99 -28.61 60.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.03 0.443 . . . . 0.0 111.531 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -92.87 11.38 27.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.633 -175.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.95 -13.09 49.59 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.999 171.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.507 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.4 m-85 -82.99 69.8 9.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.389 0.614 . . . . 0.0 109.586 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -98.31 -10.36 24.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.71 -174.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 74.5 p -130.48 159.21 37.75 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.369 -177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.83 -27.05 67.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.438 0.637 . . . . 0.0 109.335 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.27 -34.2 77.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.563 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.28 -35.92 16.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.218 0.533 . . . . 0.0 109.888 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.477 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 56.8 t80 -64.88 -28.41 69.52 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.797 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.22 -9.16 51.72 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.898 -0.501 . . . . 0.0 110.844 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -101.09 -1.61 33.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.549 0.69 . . . . 0.0 109.675 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.642 HD11 HD11 ' B' ' 40' ' ' LEU . 2.0 tm? -73.4 115.44 12.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.185 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.454 HH22 HD22 ' B' ' 62' ' ' LEU . 30.2 mmt180 -122.52 162.36 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.407 -172.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.415 ' N ' HD11 ' B' ' 55' ' ' LEU . 45.2 tt0 -54.19 -44.64 71.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.836 0.35 . . . . 0.0 111.62 -173.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' B' ' 41' ' ' ASN . 20.5 m -62.31 -26.25 68.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.319 0.581 . . . . 0.0 110.533 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.776 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 51.0 m170 -75.87 -36.41 59.57 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.642 HD11 HD11 ' B' ' 35' ' ' LEU . 8.6 mp -62.06 -37.01 83.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 120.862 0.363 . . . . 0.0 110.093 174.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' B' ' 38' ' ' THR . 7.0 m-20 -55.45 -41.31 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.006 172.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 38' ' ' THR . 39.1 mt-10 -70.64 -37.62 73.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.744 178.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 48.4 mt -80.16 -2.11 43.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.359 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 t30 65.4 26.74 11.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.726 0.774 . . . . 0.0 110.456 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.4 mt -86.1 77.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.444 ' O ' ' HD3' ' B' ' 48' ' ' PRO . 4.9 mmt -95.33 28.44 2.89 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.439 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.574 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 40.0 m-20 -92.39 98.69 2.23 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.28 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.468 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 73.4 Cg_exo -50.0 -55.0 4.55 Favored 'Trans proline' 0 N--CA 1.474 0.348 0 C-N-CA 123.474 2.783 . . . . 0.0 114.428 -167.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 48.1 mt-30 -68.38 -37.42 80.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.196 0.522 . . . . 0.0 110.378 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.574 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 25.4 m170 -66.29 -38.16 87.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.643 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.527 ' O ' HD22 ' B' ' 55' ' ' LEU . 48.5 mtp180 -54.86 -57.88 9.84 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.801 170.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.61 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.15 -40.64 61.68 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.461 -176.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.605 ' CG ' ' HB1' ' A' ' 52' ' ' ALA . 32.8 mtpt -64.9 -51.93 59.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.82 176.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 92.7 mt -54.11 -46.06 72.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.597 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.4 OUTLIER -65.7 -41.3 92.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.346 -179.611 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.559 HG21 ' O ' ' A' ' 53' ' ' LYS . 44.3 m -63.06 -39.29 94.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.511 . . . . 0.0 110.54 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.34 -47.74 84.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.941 175.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.23 79.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 6.0 mm-40 -60.66 -54.55 43.97 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.078 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.7 mp -71.49 -29.69 65.1 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.813 -177.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.518 HD11 ' HG ' ' B' ' 8' ' ' LEU . 86.8 mt -69.49 -24.23 63.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.147 0.499 . . . . 0.0 110.443 175.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.454 HD22 HH22 ' B' ' 36' ' ' ARG . 52.0 tp -74.29 -43.65 55.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.566 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -91.44 -41.33 10.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.432 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 97.2 m-85 . . . . . 0 C--N 1.321 -0.672 0 CA-C-O 120.976 0.417 . . . . 0.0 110.811 -175.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.485 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 19.5 Cg_exo . . . . . 0 N--CA 1.461 -0.384 0 CA-C-O 121.105 0.377 . . . . 0.0 112.062 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -106.33 -12.13 15.78 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -121.51 164.92 16.42 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.594 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.2 tm? -58.62 -53.53 57.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.94 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.513 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 11.9 t-160 -55.34 -43.53 75.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.491 -177.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.26 -41.45 88.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.156 0.503 . . . . 0.0 110.902 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD21 HD11 ' B' ' 60' ' ' LEU . 2.6 tm? -67.68 -43.97 78.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.016 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.0 mm? -59.65 -40.35 87.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.575 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 49.8 mt-10 -63.26 -37.52 87.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.081 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -70.33 -43.95 69.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' B' ' 56' ' ' THR . 43.2 pt -81.72 -13.91 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.104 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.2 25.87 13.42 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.1 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.4 mm? -121.81 29.91 6.91 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.757 0.313 . . . . 0.0 110.755 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 9.7 pt-20 -60.0 -21.5 61.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.678 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.81 -23.05 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.127 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -109.17 3.82 22.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.721 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.421 HG21 ' CD2' ' A' ' 6' ' ' HIS . 24.7 m -52.78 -47.89 67.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.907 0.384 . . . . 0.0 111.091 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.573 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.5 m -60.07 -39.94 87.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.628 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 32.7 m -56.38 -49.53 74.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 0.0 110.552 177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.1 mm? -61.69 -54.19 46.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.986 176.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 27' ' ' GLN . 20.7 tp -51.06 -49.49 60.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.749 -177.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 19' ' ' SER . 97.5 mt -65.16 -35.14 80.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -91.22 14.46 14.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.107 0.479 . . . . 0.0 111.588 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -7.73 50.59 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.112 170.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 94.5 m-85 -87.44 75.6 9.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.534 0.683 . . . . 0.0 109.615 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.467 ' HA ' HD12 ' A' ' 22' ' ' LEU . 40.8 mt-30 -97.94 -18.55 18.59 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.671 -173.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 p -129.14 168.93 15.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.728 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.16 -25.07 65.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 0.0 109.603 174.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 43.2 mt-10 -71.3 -25.22 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.542 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 47.8 m-20 -83.42 -46.27 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.36 0.6 . . . . 0.0 109.638 173.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.17 -25.31 68.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.986 -173.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 18.4 ptpt -66.86 -9.83 41.81 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.027 -0.421 . . . . 0.0 111.691 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -108.64 8.02 26.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.346 0.593 . . . . 0.0 110.269 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.577 HD11 HD11 ' A' ' 40' ' ' LEU . 3.2 tm? -71.22 125.88 28.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.697 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.486 ' C ' HD11 ' A' ' 55' ' ' LEU . 35.6 mmt180 -124.59 165.76 17.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -177.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.527 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.4 tt0 -64.8 -37.49 87.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.953 0.406 . . . . 0.0 110.153 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.0 m -58.17 -31.09 66.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.948 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.777 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 25.5 m170 -75.96 -35.8 59.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.185 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.597 HD12 HD12 ' A' ' 43' ' ' LEU . 4.5 mp -64.09 -32.91 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.816 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -57.81 -41.98 83.31 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.72 -35.56 70.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.71 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.777 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 47.3 mt -79.78 -2.05 41.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.044 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.5 t30 67.64 21.25 9.42 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.609 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.447 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 60.6 mt -87.82 75.85 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.577 0.704 . . . . 0.0 109.203 177.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.8 mmt -82.31 -9.13 59.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.793 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.588 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 39.1 m-20 -50.58 105.63 0.54 Allowed Pre-proline 0 C--O 1.223 -0.295 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.353 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 32.7 Cg_exo -60.96 -50.67 5.84 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.26 2.64 . . . . 0.0 114.097 -171.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 53.2 mt-30 -71.25 -36.13 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 59.1 m170 -66.19 -41.53 90.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.798 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HG2' HD23 ' A' ' 40' ' ' LEU . 51.1 mtp180 -53.61 -54.79 32.55 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.695 170.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.13 -43.23 61.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.399 -177.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 26.4 mtpt -68.54 -50.74 49.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.93 178.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 91.6 mt -54.83 -46.04 74.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.841 -177.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.527 HD11 ' N ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -67.09 -35.68 80.32 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.451 -179.018 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.527 HG21 ' O ' ' B' ' 53' ' ' LYS . 36.0 m -67.88 -41.01 83.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.164 0.506 . . . . 0.0 110.138 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.593 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.09 -45.78 93.3 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.048 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.72 92.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.981 177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -57.28 -55.29 36.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.29 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' B' ' 57' ' ' ALA . 11.3 mp -72.61 -26.88 61.85 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.742 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.45 ' O ' ' HE2' ' A' ' 33' ' ' LYS . 72.0 mt -73.94 -24.02 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.805 -0.559 . . . . 0.0 110.824 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 33' ' ' LYS . 45.7 tp -76.14 -33.69 59.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.788 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.401 ' OD2' ' HD2' ' B' ' 2' ' ' PRO . 35.1 t70 -103.72 -44.16 5.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.092 0.472 . . . . 0.0 112.019 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.689 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 86.6 m-85 . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.06 -173.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.497 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 19.8 Cg_exo . . . . . 0 N--CA 1.46 -0.446 0 CA-C-O 121.025 0.344 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -106.05 -12.05 15.92 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.7 p -121.58 164.95 16.42 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.6 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.51 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.2 tm? -58.77 -53.48 57.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.858 -176.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.52 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 11.8 t-160 -55.14 -43.57 74.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.607 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.58 -40.85 88.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.08 0.467 . . . . 0.0 110.957 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.45 HD21 HD11 ' A' ' 60' ' ' LEU . 2.6 tm? -68.11 -43.91 77.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.932 -178.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 5' ' ' LEU . 4.0 mm? -59.75 -40.41 88.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.611 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 49.7 mt-10 -63.39 -37.36 86.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.009 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -70.32 -44.26 68.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.018 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 56' ' ' THR . 43.0 pt -81.53 -13.73 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.152 -177.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.91 25.97 13.69 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.105 173.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.428 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.4 mm? -121.71 29.71 7.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.714 0.293 . . . . 0.0 110.775 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.43 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 9.9 pt-20 -59.97 -21.26 61.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.748 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.99 -23.02 67.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.15 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -109.14 3.9 22.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.626 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.43 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 24.9 m -53.02 -47.59 68.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.809 0.338 . . . . 0.0 111.042 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 10.8 m -60.54 -39.88 89.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.555 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 35.7 m -56.19 -49.61 73.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.597 177.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.1 mm? -61.66 -54.06 47.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.999 176.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' B' ' 27' ' ' GLN . 21.1 tp -51.15 -49.34 61.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.74 -177.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 19' ' ' SER . 98.2 mt -65.33 -35.27 80.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.381 -177.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -91.04 14.46 13.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.633 -175.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.83 -7.84 49.79 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.619 -0.801 . . . . 0.0 113.024 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 94.7 m-85 -87.35 75.68 9.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.594 0.712 . . . . 0.0 109.609 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' B' ' 22' ' ' LEU . 41.0 mt-30 -97.88 -18.85 18.46 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.536 -173.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 62.3 p -128.91 169.17 14.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.65 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.27 -25.05 65.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.404 0.621 . . . . 0.0 109.614 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.447 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 43.4 mt-10 -71.38 -24.94 62.17 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.527 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.463 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 50.1 m-20 -83.62 -46.32 12.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.31 0.576 . . . . 0.0 109.582 173.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -64.11 -25.23 68.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.177 -0.92 . . . . 0.0 112.078 -173.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 18.4 ptpt -67.02 -9.67 41.51 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.07 -0.394 . . . . 0.0 111.666 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -108.81 8.27 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.462 0.649 . . . . 0.0 110.278 176.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.551 HD11 HD11 ' B' ' 40' ' ' LEU . 3.2 tm? -71.3 126.05 28.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.616 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.488 ' C ' HD11 ' B' ' 55' ' ' LEU . 35.6 mmt180 -124.73 165.73 17.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.998 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.517 ' N ' HD11 ' B' ' 55' ' ' LEU . 44.2 tt0 -65.08 -37.3 87.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.997 0.427 . . . . 0.0 110.065 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 14.5 m -58.05 -31.25 66.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.986 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.754 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 26.5 m170 -75.97 -35.91 59.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.126 -179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.581 HD12 HD12 ' B' ' 43' ' ' LEU . 4.4 mp -63.93 -32.92 74.62 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.779 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.01 -41.73 83.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 172.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.01 -35.08 69.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.851 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 47.3 mt -80.22 -1.86 42.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.948 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 3.5 t30 67.84 20.98 9.22 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.52 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.449 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 61.1 mt -87.93 76.01 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 177.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 2.8 mmt -82.32 -9.42 59.48 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.865 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.597 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 34.0 m-20 -50.29 105.66 0.54 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.452 176.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.9 -50.91 5.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.373 2.716 . . . . 0.0 113.996 -171.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 53.6 mt-30 -71.41 -35.86 71.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.51 . . . . 0.0 110.037 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.597 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 59.0 m170 -66.28 -41.83 89.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.705 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.54 ' HG2' HD23 ' B' ' 40' ' ' LEU . 51.0 mtp180 -53.35 -54.76 31.96 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.731 170.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.527 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.02 -43.46 60.88 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.506 -177.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 26.3 mtpt -68.44 -50.7 50.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.914 178.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.3 mt -54.76 -46.14 74.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.924 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.517 HD11 ' N ' ' B' ' 37' ' ' GLU . 0.5 OUTLIER -67.1 -35.62 80.17 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.446 -179.099 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 53' ' ' LYS . 36.3 m -67.78 -41.17 83.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.18 0.515 . . . . 0.0 110.131 178.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.579 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.96 -45.87 93.02 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.016 176.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.65 93.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.921 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.43 -55.09 39.32 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.32 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.593 HD22 ' HA ' ' A' ' 57' ' ' ALA . 11.3 mp -72.55 -27.01 61.95 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.792 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.46 ' O ' ' HE2' ' B' ' 33' ' ' LYS . 71.4 mt -73.85 -24.04 59.7 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.795 -0.566 . . . . 0.0 110.853 175.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.401 ' HA ' ' HB2' ' B' ' 33' ' ' LYS . 46.4 tp -76.22 -33.36 59.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.706 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -104.09 -44.24 5.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.242 0.544 . . . . 0.0 112.068 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.689 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 87.0 m-85 . . . . . 0 C--N 1.318 -0.799 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.003 -173.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.491 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 15.7 Cg_exo . . . . . 0 N--CA 1.46 -0.494 0 CA-C-O 121.148 0.395 . . . . 0.0 112.037 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -87.14 -18.72 29.77 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.713 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 p -123.81 165.02 18.04 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.824 -177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.3 tm? -60.02 -47.26 86.57 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.857 -176.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.2 -41.44 62.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.039 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.6 -32.21 67.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.641 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.531 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.8 tm? -70.04 -38.1 75.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.537 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -61.66 -36.64 81.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.09 -32.0 71.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.929 0.395 . . . . 0.0 110.39 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -38.78 92.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.973 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.557 ' CG2' HG23 ' B' ' 56' ' ' THR . 38.0 pt -98.06 -12.96 8.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.899 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.33 31.93 11.1 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.71 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.3 mm? -122.67 31.45 6.08 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 120.814 0.34 . . . . 0.0 110.757 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.533 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 15.1 pt-20 -61.02 -17.05 50.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.511 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.4 -22.91 65.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.962 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -117.52 11.69 13.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.652 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 26.4 m -54.97 -47.76 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.777 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.4 p -61.66 -36.8 81.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.626 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.415 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 24.4 m -57.05 -53.07 62.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.298 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -63.02 -52.39 63.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.185 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 27' ' ' GLN . 18.8 tp -53.34 -47.39 69.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.844 -175.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.9 mt -71.72 -29.41 64.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.675 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -89.78 9.74 26.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.993 0.425 . . . . 0.0 111.564 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.36 -7.27 39.88 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.066 171.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 85.0 m-85 -87.18 80.32 8.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.348 0.594 . . . . 0.0 109.722 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.408 ' HA ' HD12 ' A' ' 22' ' ' LEU . 69.5 mt-30 -104.0 -22.35 13.47 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.03 -173.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -122.62 168.29 12.36 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.403 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.91 -28.51 68.99 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.433 0.635 . . . . 0.0 109.665 176.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.7 -26.36 64.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.892 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -80.62 -47.75 13.65 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.539 ' CD2' HD21 ' A' ' 5' ' ' LEU . 48.6 t80 -63.18 -27.51 69.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.024 -173.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -66.71 -8.71 29.85 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.992 -0.443 . . . . 0.0 111.446 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -106.04 5.12 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.349 0.595 . . . . 0.0 110.16 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.703 HD11 HD11 ' A' ' 40' ' ' LEU . 2.2 tm? -74.78 115.75 14.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.023 177.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -119.56 166.17 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 -174.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.715 ' N ' HD11 ' A' ' 55' ' ' LEU . 34.4 tt0 -61.25 -40.63 94.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.885 0.374 . . . . 0.0 111.071 -173.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.6 m -59.55 -26.94 65.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.473 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.747 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.0 m170 -76.93 -34.93 57.63 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.76 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.703 HD11 HD11 ' A' ' 35' ' ' LEU . 8.7 mp -63.59 -31.61 72.83 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.603 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.682 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 95.5 m-20 -61.76 -34.0 75.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.895 174.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -77.89 -37.05 48.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.317 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 50.8 mt -76.36 -8.34 56.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.13 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 t30 68.77 24.66 6.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.378 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -84.89 81.97 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.358 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.682 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 32.1 mmt -93.75 11.31 29.59 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.236 -174.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.551 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 38.6 m-20 -77.09 101.86 0.71 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.792 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.44 -56.36 2.95 Favored 'Trans proline' 0 N--CA 1.474 0.369 0 C-N-CA 123.277 2.651 . . . . 0.0 114.242 -166.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.4 mt-30 -68.8 -33.06 73.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.233 0.539 . . . . 0.0 110.297 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 24.9 m170 -68.58 -36.53 78.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.861 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 47' ' ' ASP . 48.2 mtp180 -57.66 -53.0 63.14 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.565 171.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.553 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.92 -41.6 67.85 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.465 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.618 ' O ' HG21 ' B' ' 56' ' ' THR . 28.8 mtpt -65.37 -51.7 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.727 177.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.4 mt -53.97 -46.26 71.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.491 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.715 HD11 ' N ' ' A' ' 37' ' ' GLU . 2.8 mm? -61.11 -45.22 95.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.315 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.621 HG21 ' O ' ' B' ' 53' ' ' LYS . 42.2 m -61.73 -40.82 96.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -178.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.598 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.09 -44.03 95.08 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.014 176.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.35 95.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 6.5 mm-40 -57.31 -48.36 79.13 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.634 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.597 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.8 mp -71.62 -48.86 45.16 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.654 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.531 HD11 ' HG ' ' A' ' 8' ' ' LEU . 85.0 mt -56.82 -28.22 61.18 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.861 0.363 . . . . 0.0 111.566 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.6 -35.92 77.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.701 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -108.41 -33.14 7.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.33 0.586 . . . . 0.0 111.575 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.497 ' OH ' ' HB2' ' B' ' 2' ' ' PRO . 97.5 m-85 . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.143 -171.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.497 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 15.5 Cg_exo . . . . . 0 N--CA 1.459 -0.536 0 CA-C-O 121.08 0.367 . . . . 0.0 111.886 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -87.43 -18.78 29.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.789 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.8 p -124.0 165.0 18.2 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.812 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.3 tm? -60.41 -46.97 88.08 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.838 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.405 ' CG ' HG21 ' B' ' 18' ' ' THR . 3.4 t-160 -52.45 -41.17 63.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.99 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.71 -32.49 67.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.545 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.538 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.8 tm? -69.72 -38.19 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.464 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.527 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -61.61 -36.63 81.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.15 -32.0 71.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.971 0.415 . . . . 0.0 110.485 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.76 92.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.552 ' CG2' HG23 ' A' ' 56' ' ' THR . 37.8 pt -98.01 -13.11 8.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.878 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.39 31.8 11.21 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.73 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.527 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.3 mm? -122.8 31.57 6.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.889 0.376 . . . . 0.0 110.691 178.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.526 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 15.2 pt-20 -60.83 -16.94 46.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.49 177.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.13 -22.18 65.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.11 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -117.9 11.56 13.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.584 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.526 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 26.2 m -54.88 -47.53 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.788 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 20.0 p -61.97 -36.54 81.75 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.629 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 24.1 m -57.16 -53.19 60.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.336 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -63.01 -52.19 63.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.228 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 tp -53.55 -47.29 70.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.784 -175.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 19' ' ' SER . 91.6 mt -71.78 -29.71 64.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.595 -177.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -89.49 9.68 25.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.97 0.414 . . . . 0.0 111.507 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.43 -6.96 39.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.077 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 85.2 m-85 -87.39 80.42 8.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.344 0.592 . . . . 0.0 109.706 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -103.99 -22.65 13.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.029 -173.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -122.41 167.85 12.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.393 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.54 -28.57 69.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.459 0.647 . . . . 0.0 109.693 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.69 -26.34 64.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.89 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 44.7 m-20 -80.68 -47.99 13.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.356 0.598 . . . . 0.0 109.569 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . 0.545 ' CD2' HD21 ' B' ' 5' ' ' LEU . 48.2 t80 -62.9 -27.42 69.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.021 -173.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.86 -9.04 33.45 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.359 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -105.72 5.26 30.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.431 0.634 . . . . 0.0 110.283 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 40' ' ' LEU . 2.2 tm? -74.98 116.05 15.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.955 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -119.85 166.16 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.02 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.714 ' N ' HD11 ' B' ' 55' ' ' LEU . 34.1 tt0 -61.23 -40.75 95.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.909 0.385 . . . . 0.0 111.108 -173.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 51.2 m -59.51 -26.65 65.48 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.464 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.737 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 23.1 m170 -77.22 -35.09 55.85 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.693 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 35' ' ' LEU . 8.7 mp -63.43 -31.59 72.79 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.812 0.339 . . . . 0.0 110.69 177.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . 0.712 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 95.5 m-20 -61.85 -33.99 75.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.832 174.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -77.98 -36.98 48.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.251 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 49.3 mt -76.46 -8.19 56.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.226 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 t30 68.68 24.74 6.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.373 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.6 mt -85.06 82.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.251 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.712 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 31.9 mmt -93.66 10.95 30.69 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.166 -174.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 35.1 m-20 -76.55 101.62 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.807 176.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.31 -56.15 3.16 Favored 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 123.252 2.635 . . . . 0.0 114.293 -166.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.55 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 52.4 mt-30 -69.27 -32.8 72.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.268 0.556 . . . . 0.0 110.214 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.532 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 24.9 m170 -68.59 -36.72 79.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.823 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' B' ' 47' ' ' ASP . 49.3 mtp180 -57.51 -52.99 63.13 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.624 171.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.56 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -54.0 -41.68 68.23 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.348 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.621 ' O ' HG21 ' A' ' 56' ' ' THR . 28.8 mtpt -65.29 -51.68 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.789 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -54.03 -46.17 71.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.513 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.714 HD11 ' N ' ' B' ' 37' ' ' GLU . 2.8 mm? -61.19 -45.21 95.55 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.202 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.618 HG21 ' O ' ' A' ' 53' ' ' LYS . 41.6 m -61.8 -40.79 96.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.597 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.18 -44.01 95.4 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.004 176.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.6 95.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 6.3 mm-40 -56.93 -48.65 77.78 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.542 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.8 mp -71.44 -48.99 46.01 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.635 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.538 HD11 ' HG ' ' B' ' 8' ' ' LEU . 84.2 mt -56.86 -28.11 61.28 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.53 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.77 -35.81 77.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.71 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -108.28 -33.3 7.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.603 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . 0.491 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 97.5 m-85 . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.152 -171.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo . . . . . 0 N--CA 1.458 -0.588 0 CA-C-O 120.98 0.325 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -108.56 -10.0 15.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.9 p -130.53 169.07 16.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.353 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.458 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.4 tm? -60.85 -51.19 70.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -176.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.47 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 12.7 t-80 -54.82 -44.7 74.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.473 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.52 -36.41 82.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.48 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -66.28 -44.28 84.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.007 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -60.84 -39.56 89.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.501 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 48.4 mt-10 -65.55 -37.57 87.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.042 0.448 . . . . 0.0 110.486 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -41.37 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.34 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.491 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.4 pt -92.68 -15.58 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.906 -177.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.97 24.41 15.2 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.905 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.4 mm? -119.28 30.27 7.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.974 0.416 . . . . 0.0 110.113 177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 9' ' ' LEU . 11.3 pt-20 -57.35 -21.26 34.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.771 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.39 -21.05 65.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.512 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -115.86 14.41 16.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.86 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.8 m -55.79 -45.91 78.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.183 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 22.0 t -64.27 -35.82 82.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.26 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 m -57.51 -52.27 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.211 0.529 . . . . 0.0 110.072 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.4 mm? -63.71 -49.87 71.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.97 177.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.32 -48.94 65.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.69 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 19' ' ' SER . 88.9 mt -67.43 -31.48 71.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.387 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -92.25 13.71 18.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.045 0.45 . . . . 0.0 111.524 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.34 -12.56 58.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.74 171.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.527 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 91.0 m-85 -82.78 70.82 9.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 109.651 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -100.45 -7.87 23.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.507 -174.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.5 p -132.4 162.88 29.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.168 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.52 -28.78 67.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.372 0.606 . . . . 0.0 109.49 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.539 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 1.4 mp0 -68.23 -28.86 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.204 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -89.33 -39.95 13.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 109.943 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.9 -29.47 70.64 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.7 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 15.0 ptpt -65.78 -5.33 8.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.166 -0.333 . . . . 0.0 111.482 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -106.67 6.02 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 109.871 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -74.63 126.66 31.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.222 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' A' ' 35' ' ' LEU . 21.6 mmt180 -128.75 171.4 12.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.543 ' HB2' HD21 ' A' ' 55' ' ' LEU . 43.6 tt0 -60.85 -43.17 98.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.789 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -56.68 -28.92 61.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.474 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.745 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 46.7 m170 -79.03 -29.78 43.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.845 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.629 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 7.2 mp -71.07 -26.64 63.16 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 176.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.729 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 82.2 m-20 -60.1 -35.68 75.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -77.35 -34.14 55.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.547 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 45.2 mt -80.58 -6.46 58.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.112 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 67.74 31.05 6.11 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.559 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -101.31 82.65 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.771 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.729 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 31.3 mmt -86.07 -10.47 54.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.118 -177.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 20.0 m-20 -60.61 110.62 3.07 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.463 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 37.1 Cg_exo -56.85 -49.26 15.06 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.059 3.173 . . . . 0.0 114.129 -170.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.652 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 46.6 mt-30 -68.09 -38.8 82.74 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 19.6 m170 -64.34 -40.86 96.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.629 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 46.0 mtp180 -57.12 -56.91 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.59 172.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' B' ' 52' ' ' ALA . . . -54.55 -41.14 69.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.54 -176.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.652 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 26.2 mtpt -67.84 -53.29 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.227 -0.189 . . . . 0.0 111.013 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.452 HD12 HD21 ' A' ' 40' ' ' LEU . 86.1 mt -55.18 -43.89 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.165 0.507 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -64.18 -49.62 71.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.726 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.555 HG21 ' O ' ' B' ' 53' ' ' LYS . 58.7 m -61.72 -39.14 90.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.133 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.611 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -59.17 -48.69 80.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.809 176.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.64 91.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.299 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 24.3 mm-40 -58.67 -54.58 45.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.376 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD22 ' HA ' ' B' ' 57' ' ' ALA . 6.8 mp -65.31 -44.63 87.25 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.731 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD11 ' HG ' ' A' ' 8' ' ' LEU . 91.2 mt -61.09 -21.94 64.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.896 0.379 . . . . 0.0 111.732 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.15 -30.62 68.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.303 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -107.52 -37.28 6.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.789 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.379 -174.173 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 N--CA 1.458 -0.567 0 CA-C-O 121.013 0.339 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -108.61 -10.16 15.24 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 23.5 p -130.31 169.19 15.77 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.354 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -60.77 -51.21 70.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.988 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.469 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 12.9 t-80 -54.93 -44.6 74.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.392 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.43 -36.56 82.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.666 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.528 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -66.28 -44.19 84.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.986 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -60.97 -39.52 89.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.477 177.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 48.6 mt-10 -65.55 -37.59 87.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.539 176.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.27 97.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.307 -177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' A' ' 56' ' ' THR . 39.7 pt -92.86 -15.55 8.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.912 -177.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.11 24.18 15.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.009 175.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.476 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.4 mm? -119.09 30.35 7.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.917 0.389 . . . . 0.0 110.158 177.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.449 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 11.3 pt-20 -57.34 -21.67 36.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.891 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.97 -21.33 64.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.422 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -115.61 14.31 16.48 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.919 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.4 m -55.63 -46.12 77.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.05 0.453 . . . . 0.0 110.196 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.573 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 22.5 t -64.21 -35.75 81.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.248 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -57.59 -52.3 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.107 0.479 . . . . 0.0 110.109 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.4 mm? -63.48 -50.04 71.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.969 177.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.3 -48.89 65.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.732 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.5 mt -67.44 -31.41 71.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.442 -177.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -92.26 12.96 20.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.0 0.428 . . . . 0.0 111.561 -175.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.24 57.72 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.832 171.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.534 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 91.4 m-85 -83.11 70.74 10.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.389 0.614 . . . . 0.0 109.6 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -100.25 -8.02 23.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.447 -174.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 70.5 p -132.5 162.89 30.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.961 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.47 -29.02 67.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.326 0.584 . . . . 0.0 109.449 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.545 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 1.3 mp0 -68.22 -28.69 67.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.314 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -89.34 -40.17 12.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.077 0.465 . . . . 0.0 109.935 176.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -63.62 -29.7 70.91 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.714 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.545 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 15.0 ptpt -65.62 -5.48 8.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.144 -0.348 . . . . 0.0 111.376 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -106.54 5.79 29.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.578 0.704 . . . . 0.0 109.89 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.597 HD11 HD11 ' B' ' 40' ' ' LEU . 3.3 tm? -74.28 126.87 31.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.257 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.525 ' HD3' ' O ' ' B' ' 35' ' ' LEU . 21.5 mmt180 -129.15 171.08 12.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.638 -177.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.569 ' HB2' HD21 ' B' ' 55' ' ' LEU . 43.1 tt0 -60.54 -43.26 97.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.972 0.415 . . . . 0.0 110.773 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m -56.48 -28.89 60.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.649 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . 0.744 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 47.4 m170 -78.85 -30.15 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.854 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.633 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 7.3 mp -70.91 -26.76 63.35 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 176.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . 0.716 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 82.0 m-20 -59.91 -35.42 74.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.636 0.731 . . . . 0.0 109.071 171.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.08 -33.5 50.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.496 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 46.3 mt -80.97 -6.6 58.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.062 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.03 31.05 5.69 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.365 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.8 mt -101.17 82.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.851 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . 0.716 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 31.4 mmt -86.13 -10.2 55.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.074 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 19.0 m-20 -60.85 110.58 3.08 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.345 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 36.6 Cg_exo -56.7 -49.24 15.28 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.96 3.107 . . . . 0.0 114.216 -170.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.656 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 46.5 mt-30 -68.16 -38.64 82.34 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.083 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 19.7 m170 -64.53 -40.71 96.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.633 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 46.3 mtp180 -57.19 -56.82 16.81 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.562 172.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . . . -54.62 -41.16 69.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.51 -176.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 26.3 mtpt -67.94 -53.11 28.75 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.256 -0.178 . . . . 0.0 110.988 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LEU . . . . . 0.471 HD12 HD21 ' B' ' 40' ' ' LEU . 86.0 mt -55.4 -43.76 75.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.604 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.2 OUTLIER -64.24 -49.58 71.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.851 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.571 HG21 ' O ' ' A' ' 53' ' ' LYS . 59.1 m -61.68 -39.07 90.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.002 0.43 . . . . 0.0 111.139 -178.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.18 -48.7 80.64 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.782 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.39 90.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.265 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 23.5 mm-40 -58.77 -54.55 45.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.434 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.611 HD22 ' HA ' ' A' ' 57' ' ' ALA . 6.7 mp -65.43 -44.52 87.06 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.698 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.528 HD11 ' HG ' ' B' ' 8' ' ' LEU . 91.5 mt -61.18 -21.78 64.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.839 0.352 . . . . 0.0 111.685 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 35.2 tp -69.16 -30.82 69.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.201 0.524 . . . . 0.0 110.285 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -107.33 -37.54 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.755 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.349 -174.037 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 112.426 -0.269 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -70.38 136.83 32.27 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.735 2.29 . . . . 0.0 111.608 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.36 -12.55 12.38 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 175.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 p -126.53 167.79 15.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.626 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.77 -52.01 67.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.321 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.524 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 11.4 t-80 -51.49 -46.49 63.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.681 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.53 -33.87 76.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.986 0.422 . . . . 0.0 110.998 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.689 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.8 tm? -68.33 -42.0 79.97 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.104 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.5 mm? -62.18 -38.42 89.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.281 176.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 45.0 mt-10 -64.94 -33.33 75.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.221 0.534 . . . . 0.0 110.464 176.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.596 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -66.43 -42.27 87.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.467 -176.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.527 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.0 pt -94.51 -9.13 9.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.023 -175.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.18 22.21 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.7 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.7 mm? -121.2 29.69 7.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.694 0.283 . . . . 0.0 110.564 178.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.4 pt-20 -63.51 -14.18 48.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.008 0.432 . . . . 0.0 110.492 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -62.55 -23.29 66.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.573 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -114.25 9.5 17.05 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.739 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.471 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 24.1 m -54.89 -46.12 74.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 110.405 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.591 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.0 m -62.81 -38.68 91.64 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.189 178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -57.05 -51.53 68.9 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.862 0.363 . . . . 0.0 110.059 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.8 mm? -59.73 -52.88 63.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.028 176.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 tp -53.57 -47.91 69.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.489 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 19' ' ' SER . 95.5 mt -67.88 -28.23 67.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.342 -177.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.426 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 30.6 m-80 -93.21 12.39 24.62 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -178.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.68 1.54 57.55 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.025 171.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.502 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 99.1 m-85 -92.94 85.39 5.13 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.326 0.584 . . . . 0.0 109.599 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.73 -17.84 14.26 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.593 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.8 p -127.58 167.67 16.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.738 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.71 -27.49 67.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 43.5 mt-10 -69.45 -27.73 65.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.651 177.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -81.11 -45.89 15.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.302 0.572 . . . . 0.0 109.766 174.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.523 ' HD1' HD12 ' A' ' 61' ' ' LEU . 43.0 t80 -65.46 -29.94 70.67 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.743 -174.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.8 ptpt -65.43 -9.98 30.02 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.115 -0.366 . . . . 0.0 111.08 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -100.02 -4.5 29.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.135 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.5 tm? -67.53 126.62 29.9 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.303 -177.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 36' ' ' ARG . 30.9 mmt180 -126.11 169.86 12.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.297 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.58 -41.28 96.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.186 0.517 . . . . 0.0 109.994 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 7.9 m -58.57 -25.24 62.32 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.297 177.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.406 ' O ' HD13 ' A' ' 43' ' ' LEU . 34.9 m170 -79.07 -40.7 30.55 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.486 177.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -59.6 -31.82 69.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.723 175.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 38' ' ' THR . 7.4 m-20 -56.49 -41.84 77.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.203 171.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -74.03 -41.06 62.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.794 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' CG ' ' A' ' 24' ' ' ASN . 10.8 mp -73.68 -5.7 42.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.11 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.48 29.92 10.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.391 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.539 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 65.6 mt -93.32 79.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.353 -0.839 . . . . 0.0 108.792 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.9 mmt -88.32 1.54 54.39 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.352 -176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.619 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 71.2 m-20 -59.05 102.78 0.32 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.446 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.45 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 41.2 Cg_exo -54.48 -56.45 2.48 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.897 2.398 . . . . 0.0 114.226 -165.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.562 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 43.3 mt-30 -72.57 -32.14 65.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.912 0.387 . . . . 0.0 110.707 -178.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.619 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 51.3 m170 -64.82 -41.31 95.86 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.593 ' O ' HD22 ' A' ' 55' ' ' LEU . 39.4 mtp180 -53.54 -56.36 17.75 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.98 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.468 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.6 -42.33 61.88 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.25 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.601 ' O ' HG21 ' B' ' 56' ' ' THR . 31.0 mtpt -65.73 -52.72 48.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.2 mt -53.87 -45.69 71.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.439 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.654 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.45 -47.03 83.56 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.987 -179.421 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.589 HG21 ' O ' ' B' ' 53' ' ' LYS . 45.1 m -61.24 -40.86 95.6 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.112 0.482 . . . . 0.0 110.972 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.643 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -59.62 -45.81 90.85 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.973 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.23 -39.26 94.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.248 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.654 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 8.6 mm-40 -58.3 -53.02 62.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.356 0.598 . . . . 0.0 110.215 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.644 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.3 mp -69.67 -38.76 77.17 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.974 -177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.689 HD11 ' HG ' ' A' ' 8' ' ' LEU . 56.4 mt -63.35 -23.99 67.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 118.267 0.485 . . . . 0.0 111.375 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.572 HD23 ' NH2' ' B' ' 11' ' ' ARG . 30.2 tp -72.66 -28.3 62.64 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.731 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -110.45 -37.67 5.43 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.01 44.79 1.0 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.314 -174.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -82.12 41.99 0.71 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.184 0.516 . . . . 0.0 110.955 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p 49.63 38.09 14.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.337 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.19 32.78 4.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.131 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.4 m 64.34 169.97 0.18 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.175 0.59 . . . . 0.0 111.74 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.657 -0.687 . . . . 0.0 111.574 -174.865 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 112.389 -0.285 . . . . 0.0 112.389 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -70.65 136.62 31.06 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.705 2.27 . . . . 0.0 111.691 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -114.27 -12.2 12.48 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 33.5 p -126.88 167.66 15.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.599 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.45 -52.0 67.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.515 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.525 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 11.3 t-80 -51.62 -46.36 63.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.693 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -64.53 -33.97 77.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.0 0.429 . . . . 0.0 110.954 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.723 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.8 tm? -68.2 -41.93 80.61 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.144 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.451 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.5 mm? -62.4 -38.32 89.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.267 176.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 45.1 mt-10 -64.66 -34.05 77.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.506 176.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.572 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.68 -42.7 90.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.611 -176.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.524 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.2 pt -93.89 -9.92 9.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.927 -175.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.07 28.5 20.48 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.657 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.451 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.7 mm? -121.46 30.01 6.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.629 0.252 . . . . 0.0 110.582 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.463 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.6 pt-20 -63.58 -14.47 51.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.961 0.41 . . . . 0.0 110.411 177.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.12 -23.53 66.6 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.656 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -114.24 9.45 17.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.695 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.463 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 24.1 m -54.75 -46.22 74.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.332 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.585 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 13.1 m -62.72 -38.92 92.38 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.23 178.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -56.83 -51.6 68.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 110.2 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.8 mm? -59.75 -52.65 64.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.122 176.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 15.4 tp -53.79 -47.73 70.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.532 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' B' ' 19' ' ' SER . 95.5 mt -67.85 -28.36 67.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.365 -177.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.428 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 30.6 m-80 -93.26 12.51 24.32 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.209 0.528 . . . . 0.0 111.172 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.74 1.3 57.51 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.082 171.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 98.7 m-85 -92.7 85.57 5.28 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.371 0.605 . . . . 0.0 109.687 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -105.91 -17.46 14.35 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.468 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 65.7 p -127.89 167.36 16.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.91 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.38 -27.98 68.28 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.414 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 43.2 mt-10 -69.15 -27.71 65.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.576 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -81.16 -45.63 16.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.515 ' HD1' HD12 ' B' ' 61' ' ' LEU . 43.1 t80 -65.72 -30.04 70.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.792 -174.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.9 ptpt -65.39 -9.85 28.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.034 -0.416 . . . . 0.0 111.135 178.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -100.05 -4.44 29.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.313 0.578 . . . . 0.0 110.084 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.5 tm? -67.81 126.49 29.58 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.291 -177.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -126.17 169.86 12.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.265 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -64.61 -41.15 96.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.129 0.49 . . . . 0.0 109.93 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' B' ' 41' ' ' ASN . 8.3 m -58.89 -25.09 63.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.396 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -79.07 -40.83 30.22 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.419 177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.558 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 0.2 OUTLIER -59.5 -31.98 69.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.748 175.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' B' ' 38' ' ' THR . 7.2 m-20 -56.68 -41.38 77.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.155 171.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -74.59 -40.57 61.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.792 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.428 ' HG ' ' CG ' ' B' ' 24' ' ' ASN . 10.8 mp -74.18 -5.32 41.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.946 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 65.49 29.42 11.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.327 178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.558 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 65.7 mt -92.87 79.38 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 175.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 2.8 mmt -88.22 1.19 55.02 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.337 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.621 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 71.1 m-20 -58.77 102.83 0.32 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.531 177.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.449 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 45.1 Cg_exo -54.22 -56.47 2.52 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.922 2.414 . . . . 0.0 114.279 -165.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.57 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 43.1 mt-30 -72.87 -32.23 65.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.847 0.356 . . . . 0.0 110.57 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.621 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 51.2 m170 -64.67 -41.29 96.18 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.591 ' O ' HD22 ' B' ' 55' ' ' LEU . 39.6 mtp180 -53.77 -56.16 19.99 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.032 172.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.469 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.7 -42.33 62.13 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.242 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.589 ' O ' HG21 ' A' ' 56' ' ' THR . 31.0 mtpt -65.72 -52.67 49.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.714 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.6 mt -53.9 -45.6 71.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.468 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.648 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -63.47 -47.01 83.56 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.965 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.601 HG21 ' O ' ' A' ' 53' ' ' LYS . 46.2 m -61.38 -40.72 95.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.644 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.57 -45.9 90.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.979 176.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.99 -39.5 94.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.254 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 8.4 mm-40 -58.28 -53.0 63.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.421 0.629 . . . . 0.0 110.193 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.3 mp -69.76 -38.61 76.83 Favored 'General case' 0 C--O 1.214 -0.777 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.968 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.723 HD11 ' HG ' ' B' ' 8' ' ' LEU . 56.7 mt -63.39 -24.19 67.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 118.344 0.52 . . . . 0.0 111.371 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.596 HD23 ' NH2' ' A' ' 11' ' ' ARG . 29.8 tp -72.46 -28.61 63.03 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -110.45 -36.91 5.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -100.59 44.68 1.0 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.283 -174.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -81.59 41.61 0.64 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.176 0.512 . . . . 0.0 111.043 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.8 p 49.67 37.66 13.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.383 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.86 32.91 4.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.153 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 75.6 m 64.17 169.38 0.17 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.093 0.557 . . . . 0.0 111.84 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.509 -0.758 . . . . 0.0 111.424 -175.202 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.606 ' HD3' ' OD1' ' B' ' 63' ' ' ASP . 13.1 Cg_exo -69.08 115.1 3.83 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.733 2.289 . . . . 0.0 111.88 -178.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -93.01 -18.24 22.92 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.678 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.43 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 36.2 p -122.14 166.98 13.72 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.025 -177.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.0 tm? -59.54 -51.76 68.45 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.74 -176.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -52.58 -45.9 66.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.784 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 33.7 mm-40 -67.39 -31.93 72.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 -175.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -70.24 -42.76 71.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.385 178.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.2 mm? -61.85 -37.23 83.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.028 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -69.24 -30.77 68.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.014 0.435 . . . . 0.0 110.891 176.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 8' ' ' LEU . 17.3 tpp180 -64.82 -40.8 95.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.662 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.479 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.9 pt -94.98 -12.66 8.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -176.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.19 28.75 14.08 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.99 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.8 mm? -123.38 33.13 5.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.657 0.265 . . . . 0.0 110.664 178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.8 pt-20 -58.49 -18.67 30.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.55 176.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 10.9 pt-20 -61.61 -19.99 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.414 174.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.452 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 88.7 m-70 -117.0 6.58 12.98 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -176.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.7 m -55.67 -45.57 77.7 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.178 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.566 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.4 t -63.62 -39.84 95.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.979 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.6 m -56.0 -52.46 64.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.943 0.402 . . . . 0.0 110.557 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.3 mm? -62.5 -50.36 71.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.091 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 27' ' ' GLN . 13.5 tp -54.01 -44.84 71.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.519 -176.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 19' ' ' SER . 88.0 mt -74.8 -22.44 58.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.578 -177.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -98.81 11.04 39.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.926 0.393 . . . . 0.0 111.646 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.98 -8.91 54.65 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.866 172.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.2 m-85 -87.2 76.67 9.18 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.351 0.596 . . . . 0.0 109.684 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' HA ' HD12 ' A' ' 22' ' ' LEU . 60.8 mt-30 -103.79 -11.81 17.33 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.876 -173.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.9 p -128.41 166.85 17.91 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.163 178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.4 mt -68.36 -26.54 65.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.48 0.657 . . . . 0.0 109.483 175.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.22 -29.05 68.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.096 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 58.1 m-20 -81.93 -42.74 19.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.05 175.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.449 ' HD1' HD12 ' A' ' 61' ' ' LEU . 42.3 t80 -64.72 -27.16 68.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.973 -174.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -70.92 -12.42 61.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.219 0.533 . . . . 0.0 110.68 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -96.89 -0.15 48.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.708 0.766 . . . . 0.0 109.577 176.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.58 HD11 HD11 ' A' ' 40' ' ' LEU . 3.2 tm? -75.48 122.74 24.3 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.853 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.492 ' C ' HD11 ' A' ' 55' ' ' LEU . 34.2 mmt180 -120.05 164.79 15.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.702 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.594 ' N ' HD11 ' A' ' 55' ' ' LEU . 30.3 tt0 -67.01 -36.85 83.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.071 0.462 . . . . 0.0 110.354 -175.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -60.06 -26.03 65.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.051 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.785 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 25.3 m170 -76.72 -35.63 57.68 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.58 HD11 HD11 ' A' ' 35' ' ' LEU . 6.1 mp -64.23 -34.82 78.98 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.589 175.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -55.47 -36.79 66.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.856 172.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.47 -38.86 48.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.7 178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 37.2 mt -76.56 -2.35 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.09 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.6 t30 70.38 19.0 6.56 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.987 0.899 . . . . 0.0 110.473 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.449 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 57.4 mt -88.33 75.71 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 175.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.482 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 0.8 OUTLIER -87.21 -6.92 58.41 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.475 -176.019 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 10.8 m-20 -57.54 104.95 0.46 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.365 177.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 44.9 Cg_exo -56.71 -51.29 9.38 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 124.08 3.187 . . . . 0.0 114.489 -169.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 48.2 mt-30 -69.09 -36.21 77.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.21 0.529 . . . . 0.0 110.317 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 16.1 m170 -68.69 -37.58 79.67 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.256 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.541 ' HG2' HD23 ' A' ' 40' ' ' LEU . 50.5 mtp180 -57.86 -55.62 32.53 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.956 170.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.495 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -49.88 -42.6 48.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.466 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.568 ' O ' HG21 ' B' ' 56' ' ' THR . 27.9 mtpt -66.73 -51.22 58.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.896 177.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.411 HD12 HD21 ' A' ' 40' ' ' LEU . 91.3 mt -54.33 -45.51 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.775 -178.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.594 HD11 ' N ' ' A' ' 37' ' ' GLU . 2.0 mm? -68.69 -36.71 78.84 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.701 -178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.557 HG21 ' O ' ' B' ' 53' ' ' LYS . 48.9 m -65.03 -40.38 94.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.265 0.555 . . . . 0.0 110.008 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.634 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -62.43 -46.63 87.68 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.248 176.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.5 -43.74 89.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.02 -49.81 76.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.613 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.648 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.9 mp -73.33 -27.69 61.65 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.679 -0.409 . . . . 0.0 111.901 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD11 ' HG ' ' A' ' 8' ' ' LEU . 61.2 mt -72.02 -27.31 62.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.672 -0.642 . . . . 0.0 110.031 173.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.52 -37.75 65.54 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.684 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.602 ' OD1' ' HD3' ' B' ' 2' ' ' PRO . 0.6 OUTLIER -101.07 -37.64 8.51 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.421 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 90.1 m-85 -99.69 52.69 0.93 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.054 0.454 . . . . 0.0 110.305 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.95 48.04 0.93 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.648 0.737 . . . . 0.0 110.57 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.1 p 47.06 40.02 8.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.924 -1.035 . . . . 0.0 112.385 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.8 34.59 3.15 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.712 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 96.5 m 62.36 171.27 0.13 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.242 0.544 . . . . 0.0 112.022 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.087 178.325 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.602 ' HD3' ' OD1' ' A' ' 63' ' ' ASP . 13.0 Cg_exo -69.21 114.73 3.71 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.751 2.301 . . . . 0.0 111.953 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -92.76 -18.16 23.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.785 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.439 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 36.6 p -121.9 167.18 13.35 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.125 -177.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.486 ' O ' HD23 ' B' ' 9' ' ' LEU . 1.9 tm? -59.64 -51.69 68.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.735 -176.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -52.71 -45.87 67.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.738 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.439 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 34.4 mm-40 -67.35 -31.93 72.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.593 -175.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.622 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -70.29 -42.81 71.55 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.265 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.543 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.2 mm? -61.89 -37.14 83.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.45 -30.64 68.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' B' ' 8' ' ' LEU . 17.3 tpp180 -64.72 -41.26 96.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.577 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.481 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.7 pt -94.36 -13.22 8.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -176.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.18 29.41 12.62 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.84 174.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.543 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -123.69 33.13 5.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.783 0.325 . . . . 0.0 110.669 178.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.44 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.7 pt-20 -58.42 -18.77 30.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.581 176.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.448 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 10.7 pt-20 -61.69 -19.78 62.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.46 174.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.448 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 88.3 m-70 -117.09 6.61 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 10.0 m -55.58 -45.61 77.34 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.156 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 27.2 t -63.82 -39.7 94.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.964 178.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.1 m -55.75 -52.64 63.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.991 0.424 . . . . 0.0 110.62 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.515 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.3 mm? -62.57 -50.23 72.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.13 177.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' B' ' 27' ' ' GLN . 13.5 tp -54.27 -44.23 71.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.628 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.5 mt -75.07 -23.07 57.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.513 -177.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -98.56 11.35 38.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.983 0.421 . . . . 0.0 111.485 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.86 -9.01 54.96 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.887 172.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.515 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.1 m-85 -87.1 76.49 9.28 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.381 0.61 . . . . 0.0 109.658 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.437 ' HA ' HD12 ' B' ' 22' ' ' LEU . 60.7 mt-30 -103.66 -11.66 17.52 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.86 -173.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 60.3 p -128.65 167.02 17.79 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.242 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt -68.56 -26.73 65.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.11 -28.98 68.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.156 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.446 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 56.3 m-20 -81.86 -42.79 19.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.918 175.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.452 ' HD1' HD12 ' B' ' 61' ' ' LEU . 42.5 t80 -64.84 -27.11 68.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.988 -174.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -70.91 -12.53 61.59 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.911 -0.493 . . . . 0.0 110.614 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -96.77 -0.27 48.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.638 0.732 . . . . 0.0 109.584 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.559 HD11 HD11 ' B' ' 40' ' ' LEU . 3.2 tm? -75.4 122.66 24.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.803 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.485 ' C ' HD11 ' B' ' 55' ' ' LEU . 34.5 mmt180 -119.99 164.92 15.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.697 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.588 ' N ' HD11 ' B' ' 55' ' ' LEU . 30.6 tt0 -67.07 -36.87 82.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.145 0.498 . . . . 0.0 110.439 -175.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.8 m -60.15 -25.97 65.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.052 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.773 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 25.1 m170 -76.59 -35.86 57.89 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.237 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.561 HD23 ' HG2' ' B' ' 51' ' ' ARG . 6.1 mp -64.05 -34.88 79.02 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.556 175.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -55.55 -36.72 67.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.859 172.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -77.59 -38.58 47.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.702 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 37.6 mt -76.58 -2.79 34.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.152 -177.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 t30 70.8 18.88 6.07 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.723 0.773 . . . . 0.0 110.38 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.453 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 57.6 mt -88.18 75.97 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' B' ' 46' ' ' MET . 0.8 OUTLIER -87.36 -7.06 58.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.638 -176.117 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 10.4 m-20 -57.37 104.97 0.46 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.41 177.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 44.0 Cg_exo -56.77 -51.03 9.9 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 124.053 3.169 . . . . 0.0 114.477 -169.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 48.0 mt-30 -69.35 -36.04 76.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.311 0.577 . . . . 0.0 110.298 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.467 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 16.2 m170 -68.86 -37.44 79.1 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.303 -178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.561 ' HG2' HD23 ' B' ' 40' ' ' LEU . 50.3 mtp180 -57.93 -55.54 33.65 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.971 170.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -49.93 -42.55 48.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.508 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.557 ' O ' HG21 ' A' ' 56' ' ' THR . 27.8 mtpt -66.71 -51.33 57.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.945 177.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.422 HD12 HD21 ' B' ' 40' ' ' LEU . 91.9 mt -54.29 -45.48 72.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.862 -178.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.588 HD11 ' N ' ' B' ' 37' ' ' GLU . 2.0 mm? -68.55 -36.72 79.18 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.713 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.568 HG21 ' O ' ' A' ' 53' ' ' LYS . 48.3 m -65.14 -40.44 94.43 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.344 0.592 . . . . 0.0 110.01 177.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.648 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -62.38 -46.58 88.0 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.209 176.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.46 -43.96 89.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -58.74 -49.86 76.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.618 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.634 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.9 mp -73.57 -27.56 61.38 Favored 'General case' 0 C--O 1.216 -0.663 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.872 -178.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.622 HD11 ' HG ' ' B' ' 8' ' ' LEU . 62.0 mt -71.89 -27.4 62.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.445 0.641 . . . . 0.0 110.056 173.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -73.51 -37.73 65.57 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.651 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.606 ' OD1' ' HD3' ' A' ' 2' ' ' PRO . 0.6 OUTLIER -101.19 -37.32 8.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.243 -175.341 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' B' ' 60' ' ' LEU . 90.0 m-85 -100.05 52.54 0.9 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.028 0.442 . . . . 0.0 110.256 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -79.58 48.0 0.88 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.564 0.697 . . . . 0.0 110.597 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 41.4 p 47.18 39.76 8.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 114.992 -1.003 . . . . 0.0 112.359 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.55 34.61 3.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.801 -177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 97.8 m 62.11 171.07 0.13 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.359 0.6 . . . . 0.0 111.913 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.048 178.504 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.73 117.65 5.14 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.743 2.295 . . . . 0.0 111.809 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -89.02 -14.16 37.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.183 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.9 p -133.12 170.46 15.37 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.152 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.413 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.6 tm? -60.67 -49.55 77.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.435 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -54.12 -44.52 71.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.214 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -69.07 -30.88 69.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.733 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.577 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -67.22 -42.48 84.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.996 179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -62.2 -40.11 94.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.7 177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -66.9 -30.11 70.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 110.534 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -65.86 -46.29 79.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.423 -179.051 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.517 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.6 pt -90.34 -12.7 9.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.992 -175.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.72 27.36 14.66 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.687 175.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 14' ' ' LEU . 3.2 mm? -118.78 27.87 8.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.106 0.479 . . . . 0.0 110.133 177.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.6 pt-20 -60.82 -17.3 48.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.709 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.3 pt-20 -62.9 -20.01 64.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.008 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.48 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 83.5 m-70 -119.41 11.34 12.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.94 -175.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.453 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 15.1 m -55.06 -45.8 75.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.885 0.374 . . . . 0.0 110.767 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 28.9 m -62.65 -37.88 88.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.806 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 43.2 m -57.48 -50.68 72.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.796 0.331 . . . . 0.0 110.486 178.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.3 mm? -61.38 -53.29 58.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.848 176.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.19 -47.93 65.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.001 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 19' ' ' SER . 86.7 mt -71.05 -27.69 63.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.646 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -94.25 13.46 23.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.117 0.484 . . . . 0.0 111.379 -177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.24 -8.76 45.21 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.03 171.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.507 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 91.7 m-85 -86.17 79.86 8.97 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.14 0.495 . . . . 0.0 109.965 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -103.76 -19.4 14.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.007 -175.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.6 p -124.93 168.56 13.13 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.594 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.73 -26.91 66.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.405 0.622 . . . . 0.0 109.324 175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 40.8 mt-10 -69.74 -25.42 63.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.972 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.444 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 58.3 m-20 -81.56 -48.58 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.33 -28.35 69.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.906 -174.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.6 ptpt -65.56 -8.77 21.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.199 -0.313 . . . . 0.0 111.536 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -105.69 6.0 31.56 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.194 0.521 . . . . 0.0 110.595 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.37 122.46 20.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.55 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' C ' HD11 ' A' ' 55' ' ' LEU . 19.6 mmt180 -119.8 165.6 14.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.252 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.578 ' N ' HD11 ' A' ' 55' ' ' LEU . 31.9 tt0 -64.33 -39.09 93.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.058 0.456 . . . . 0.0 110.4 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.1 m -56.44 -28.34 59.28 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.393 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.762 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 48.6 m170 -76.75 -34.54 58.06 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.096 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.534 HD12 HD12 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -63.38 -38.21 90.27 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.586 ' HA ' ' SD ' ' A' ' 46' ' ' MET . 80.7 m-20 -59.19 -35.07 72.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.484 0.659 . . . . 0.0 109.726 175.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.56 -36.1 63.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.837 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 60.6 mt -82.47 -3.64 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.069 -177.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.7 t30 70.15 18.17 7.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.762 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.534 HD12 HD12 ' A' ' 40' ' ' LEU . 62.2 mt -88.87 72.59 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 173.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.586 ' SD ' ' HA ' ' A' ' 41' ' ' ASN . 70.1 mmm -83.57 -8.26 59.36 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.604 -172.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 27.7 m-20 -57.44 108.49 1.27 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.554 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 47.2 Cg_exo -56.46 -51.17 9.84 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 124.086 3.191 . . . . 0.0 114.589 -171.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.57 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 50.8 mt-30 -67.7 -36.07 79.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.039 0.447 . . . . 0.0 110.125 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 21.2 m170 -65.5 -43.09 91.21 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.815 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.572 ' O ' HD22 ' A' ' 55' ' ' LEU . 43.5 mtp180 -56.46 -54.24 48.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.053 172.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -50.0 -42.18 48.66 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.349 -178.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.596 ' O ' HG21 ' B' ' 56' ' ' THR . 29.9 mtpt -67.84 -51.08 52.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.724 177.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 80.7 mt -54.63 -43.94 72.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.52 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.578 HD11 ' N ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -64.98 -44.8 88.11 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.321 179.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.605 HG21 ' O ' ' B' ' 53' ' ' LYS . 32.2 m -61.62 -40.99 96.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.013 0.435 . . . . 0.0 110.78 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.63 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.45 -46.74 88.97 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.931 176.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.16 97.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.317 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 23.3 mm-40 -58.55 -54.11 50.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.426 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.2 mp -65.95 -46.5 77.92 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.683 -178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.577 HD11 ' HG ' ' A' ' 8' ' ' LEU . 94.5 mt -60.24 -22.41 63.01 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.859 0.361 . . . . 0.0 111.691 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD23 HH22 ' B' ' 11' ' ' ARG . 24.3 tp -70.46 -26.9 63.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -113.41 -38.44 4.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.019 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -99.03 51.48 0.96 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 123.215 0.606 . . . . 0.0 111.263 -174.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -86.09 33.79 0.61 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.033 0.444 . . . . 0.0 110.875 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.9 p 51.36 25.93 2.82 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.939 0.896 . . . . 0.0 112.973 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.24 42.0 3.12 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.099 -0.572 . . . . 0.0 112.064 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 94.0 m 61.94 172.66 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.324 0.583 . . . . 0.0 111.872 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.032 178.502 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 112.378 -0.289 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.51 117.81 5.22 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.788 2.325 . . . . 0.0 111.735 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -89.36 -13.74 37.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.3 p -133.58 170.47 15.48 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.064 -175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.421 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.6 tm? -60.88 -49.39 77.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.545 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -54.28 -44.52 71.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.145 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -69.03 -30.96 69.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.661 -176.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.595 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -67.15 -42.47 84.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.063 179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.428 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -62.18 -40.26 95.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.635 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.86 -30.08 70.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 0.0 110.476 176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.526 HH22 HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -65.73 -46.51 78.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.423 -179.181 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.51 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.5 pt -89.91 -13.34 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.011 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.23 27.39 13.55 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.651 175.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.428 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.2 mm? -118.7 27.85 8.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.978 0.418 . . . . 0.0 110.109 177.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.447 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.5 pt-20 -60.77 -17.52 49.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.858 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 11.5 pt-20 -62.72 -20.09 64.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.045 174.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 82.9 m-70 -119.16 10.95 12.22 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.981 0.364 . . . . 0.0 111.981 -175.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.447 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 14.5 m -54.88 -45.76 74.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.75 0.309 . . . . 0.0 110.931 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.577 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 23.4 m -63.07 -37.46 87.29 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.699 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 52.8 m -57.66 -50.76 72.1 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.811 0.339 . . . . 0.0 110.369 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.3 mm? -61.25 -53.28 58.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.815 176.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 20.6 tp -52.45 -47.48 66.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.989 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 19' ' ' SER . 86.9 mt -71.1 -28.28 64.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.577 -176.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -93.83 13.26 23.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.126 0.488 . . . . 0.0 111.364 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.46 -9.11 44.85 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.176 171.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.493 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 91.8 m-85 -85.78 79.91 9.13 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.167 0.508 . . . . 0.0 109.935 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -103.75 -19.73 14.2 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.778 -175.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -124.66 168.08 13.66 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.649 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -67.29 -26.95 66.79 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 175.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.448 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 40.4 mt-10 -69.6 -25.42 63.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.901 176.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.455 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 56.5 m-20 -81.56 -48.66 11.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.26 -28.45 70.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.9 -174.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.6 ptpt -65.5 -8.54 19.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.112 -0.367 . . . . 0.0 111.597 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -105.91 5.94 31.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.201 0.525 . . . . 0.0 110.584 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -71.18 122.33 19.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.65 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.51 ' C ' HD11 ' B' ' 55' ' ' LEU . 19.6 mmt180 -119.56 165.46 14.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.281 -178.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.572 ' N ' HD11 ' B' ' 55' ' ' LEU . 31.9 tt0 -64.29 -39.04 93.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.013 0.435 . . . . 0.0 110.379 -175.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -56.38 -28.58 59.62 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.328 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.773 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 48.4 m170 -76.53 -34.67 58.53 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.087 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.529 HD12 HD12 ' B' ' 45' ' ' ILE . 0.4 OUTLIER -63.27 -38.2 90.21 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 175.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . 0.575 ' HA ' ' SD ' ' B' ' 46' ' ' MET . 81.4 m-20 -59.28 -34.97 72.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.812 175.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -74.54 -36.42 63.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.801 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 60.7 mt -82.08 -3.61 55.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.102 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 65.5 t30 70.32 17.75 6.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.793 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.529 HD12 HD12 ' B' ' 40' ' ' LEU . 62.1 mt -88.51 72.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 174.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.575 ' SD ' ' HA ' ' B' ' 41' ' ' ASN . 69.6 mmm -83.89 -8.02 59.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.613 -172.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.477 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 28.9 m-20 -57.5 108.32 1.22 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.52 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -56.55 -50.92 10.39 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 124.206 3.271 . . . . 0.0 114.557 -171.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.587 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 50.4 mt-30 -67.84 -36.26 80.03 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.477 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 20.9 m170 -65.49 -43.07 91.31 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.78 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.553 ' O ' HD22 ' B' ' 55' ' ' LEU . 43.7 mtp180 -56.43 -54.3 47.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.08 172.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.456 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -49.86 -42.28 47.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.279 -178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.605 ' O ' HG21 ' A' ' 56' ' ' THR . 29.7 mtpt -67.67 -51.4 50.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.771 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 80.3 mt -54.49 -43.82 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.6 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.572 HD11 ' N ' ' B' ' 37' ' ' GLU . 0.3 OUTLIER -65.07 -44.6 88.42 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.38 179.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.596 HG21 ' O ' ' A' ' 53' ' ' LYS . 32.0 m -61.65 -41.04 96.98 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.049 0.452 . . . . 0.0 110.762 -179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.61 -46.72 89.23 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.86 176.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.01 97.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.216 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 21.3 mm-40 -58.72 -54.17 50.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.393 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.63 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.2 mp -65.89 -46.54 77.99 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.664 -178.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.595 HD11 ' HG ' ' B' ' 8' ' ' LEU . 94.4 mt -60.13 -22.47 62.87 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.872 0.367 . . . . 0.0 111.812 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.463 HD23 ' NH2' ' A' ' 11' ' ' ARG . 24.3 tp -70.31 -27.34 64.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.379 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -112.93 -38.61 4.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.029 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -98.94 51.45 0.96 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.347 -174.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -85.65 33.46 0.58 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.074 0.464 . . . . 0.0 110.941 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.7 p 51.39 25.97 2.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.973 0.909 . . . . 0.0 112.917 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.41 42.39 3.15 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.17 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 89.5 m 61.76 172.34 0.12 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.364 0.602 . . . . 0.0 111.879 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.764 178.253 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 112.175 -0.37 . . . . 0.0 112.175 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.509 ' HD3' ' OD2' ' B' ' 63' ' ' ASP . 23.8 Cg_exo -63.47 114.57 2.58 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.695 2.264 . . . . 0.0 111.82 177.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -86.64 -19.18 29.67 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.226 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.567 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 77.4 p -125.15 165.61 17.92 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.016 -176.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.6 tm? -57.72 -47.87 81.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.444 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -54.01 -48.17 70.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.333 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.567 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 24.0 mm-40 -67.06 -33.0 74.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.402 -176.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 61' ' ' LEU . 3.0 tm? -66.11 -46.61 76.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.422 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.3 mm? -61.93 -42.18 98.8 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.24 -30.95 71.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.784 0.326 . . . . 0.0 110.688 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' HD3' ' HB3' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -64.31 -52.57 57.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.724 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.8 pt -81.51 -13.89 12.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.974 -175.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.19 24.28 17.19 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.744 174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.9 mm? -117.03 31.48 6.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.905 0.383 . . . . 0.0 110.412 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 11.4 pt-20 -59.64 -18.41 41.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.927 178.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.92 -22.2 66.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.981 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -115.83 10.86 15.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.637 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.4 m -57.66 -45.63 85.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.051 0.453 . . . . 0.0 110.349 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.563 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 32.2 t -63.11 -36.32 83.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.904 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.3 m -58.82 -52.58 65.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.901 0.381 . . . . 0.0 110.117 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.9 mm? -60.19 -53.12 61.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.119 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 27' ' ' GLN . 20.2 tp -52.29 -49.19 64.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.689 -176.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 19' ' ' SER . 82.3 mt -73.23 -21.04 60.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.575 -176.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -96.34 12.17 32.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.962 0.411 . . . . 0.0 111.174 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.54 -8.36 51.64 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.938 172.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 95.2 m-85 -88.18 81.21 7.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.361 0.6 . . . . 0.0 109.699 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HA ' HD12 ' A' ' 22' ' ' LEU . 37.2 mt-30 -104.1 -15.99 15.39 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.617 -172.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.4 p -129.53 170.75 13.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.706 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.33 -29.05 69.17 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.325 0.583 . . . . 0.0 109.638 174.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 46.1 mt-10 -65.5 -30.32 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.412 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 50.3 m-20 -81.66 -44.3 17.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.04 176.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.528 ' HD2' HD12 ' A' ' 61' ' ' LEU . 45.1 t80 -65.48 -28.59 69.31 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.94 -174.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 19.4 ptpt -68.89 -7.79 38.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.105 0.478 . . . . 0.0 110.895 177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -103.86 2.38 32.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.652 0.739 . . . . 0.0 109.442 177.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -75.19 125.48 29.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.868 -178.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -130.04 169.45 15.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.632 -177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HB2' HD21 ' A' ' 55' ' ' LEU . 42.1 tt0 -61.72 -40.87 96.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.063 0.459 . . . . 0.0 110.17 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.7 m -57.15 -32.6 66.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.319 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.499 ' O ' HD13 ' A' ' 43' ' ' LEU . 66.6 m170 -76.58 -40.51 49.44 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.83 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -59.58 -34.4 72.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.095 175.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HA ' ' HE3' ' A' ' 46' ' ' MET . 95.9 m-20 -62.09 -36.73 82.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.108 175.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.14 -36.17 64.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.525 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 39' ' ' HIS . 11.2 mp -77.36 -4.54 45.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.02 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.0 t30 67.29 29.5 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.619 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.415 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 55.9 mt -90.88 79.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.417 ' HE3' ' HA ' ' A' ' 41' ' ' ASN . 20.4 mmt -78.4 -11.7 59.96 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.489 -176.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.581 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 64.0 m-20 -55.33 105.16 0.49 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.538 177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -61.97 -50.99 4.2 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.274 2.649 . . . . 0.0 113.847 -171.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.527 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 53.8 mt-30 -68.32 -36.13 78.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.994 0.426 . . . . 0.0 110.166 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 41.6 m170 -66.2 -42.13 89.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.718 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.582 ' O ' HD22 ' A' ' 55' ' ' LEU . 41.9 mtp180 -53.29 -53.51 49.86 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.052 171.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.38 -44.49 68.68 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.243 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.58 ' O ' HG21 ' B' ' 56' ' ' THR . 29.7 mtpt -64.79 -51.66 61.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.894 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 85.0 mt -55.39 -45.25 76.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.422 -178.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.582 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -63.15 -42.35 99.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.873 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.581 HG21 ' O ' ' B' ' 53' ' ' LYS . 30.2 m -64.3 -41.16 96.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.237 0.542 . . . . 0.0 110.818 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.686 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -62.09 -43.53 98.64 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.831 177.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.6 90.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.774 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.5 mm-40 -57.68 -52.97 63.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.157 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.9 mp -74.09 -21.95 59.7 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 116.168 -0.469 . . . . 0.0 112.133 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 57' ' ' ALA . 41.4 mt -74.03 -29.51 61.96 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.152 -0.619 . . . . 0.0 110.035 172.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.8 tp -72.05 -41.71 67.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.325 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.521 ' OD2' ' HD3' ' B' ' 2' ' ' PRO . 1.1 m-20 -89.74 -45.96 8.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.312 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.488 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 90.6 m-85 -96.97 52.9 1.18 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.961 0.41 . . . . 0.0 110.743 -175.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.01 43.5 0.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.78 0.8 . . . . 0.0 110.66 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p 46.54 40.36 8.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.579 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.89 32.91 3.63 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.575 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 80.2 m 63.58 166.04 0.13 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.33 0.586 . . . . 0.0 111.922 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.658 -0.687 . . . . 0.0 110.612 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 CA-C-O 120.008 -0.329 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.521 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 23.9 Cg_exo -63.55 114.73 2.66 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.724 2.283 . . . . 0.0 111.756 177.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -86.93 -18.61 30.38 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.298 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.588 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 72.3 p -125.59 165.88 17.72 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.921 -176.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.426 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.6 tm? -58.21 -48.09 81.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.352 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -53.71 -48.13 69.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.421 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.588 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.2 mm-40 -67.2 -32.92 74.3 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.435 -176.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' B' ' 61' ' ' LEU . 3.0 tm? -66.15 -46.55 77.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.358 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.463 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.3 mm? -62.07 -41.91 98.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.01 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -65.56 -30.59 71.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.707 0.289 . . . . 0.0 110.867 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.515 ' HD3' ' HB3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -64.35 -52.99 55.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.747 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.483 ' CG2' HG23 ' A' ' 56' ' ' THR . 42.0 pt -81.42 -13.74 12.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.899 -175.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.82 22.91 19.51 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.484 -0.865 . . . . 0.0 113.022 174.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.463 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -116.27 31.9 6.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.848 0.356 . . . . 0.0 110.369 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.501 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.5 pt-20 -59.82 -18.54 44.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.994 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.14 -21.23 66.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.989 175.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -116.6 10.79 14.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.605 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.501 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 9.1 m -57.73 -45.37 85.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.024 0.44 . . . . 0.0 110.444 178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.553 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 33.0 t -63.35 -36.59 84.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.848 177.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.6 m -58.51 -52.49 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.139 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.9 mm? -60.36 -53.16 61.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.119 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 27' ' ' GLN . 20.3 tp -52.25 -49.11 64.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.818 -176.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' B' ' 19' ' ' SER . 82.2 mt -73.18 -21.12 60.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.587 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -96.23 11.89 32.89 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.991 0.424 . . . . 0.0 111.196 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -8.16 51.13 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.862 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.487 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 95.5 m-85 -88.36 81.05 7.33 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.422 0.629 . . . . 0.0 109.695 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.424 ' HA ' HD12 ' B' ' 22' ' ' LEU . 37.2 mt-30 -104.03 -15.62 15.54 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.699 -172.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 68.2 p -129.64 170.98 13.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.712 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.57 -29.23 69.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.34 0.59 . . . . 0.0 109.486 174.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.2 -30.56 71.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.415 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.463 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 49.2 m-20 -81.46 -44.31 17.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.194 0.521 . . . . 0.0 109.877 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.538 ' HD2' HD12 ' B' ' 61' ' ' LEU . 45.1 t80 -65.66 -28.46 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.934 -174.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -69.02 -7.57 36.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.086 0.469 . . . . 0.0 110.902 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -104.05 2.3 31.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.721 0.772 . . . . 0.0 109.411 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -75.07 125.52 29.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.851 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -129.98 169.36 15.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.56 -177.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' B' ' 55' ' ' LEU . 42.4 tt0 -61.63 -41.08 96.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.003 0.43 . . . . 0.0 110.197 -178.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.5 m -57.06 -32.57 66.36 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.241 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.503 ' O ' HD13 ' B' ' 43' ' ' LEU . 66.5 m170 -76.57 -40.19 50.4 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.894 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -59.79 -34.26 72.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.964 175.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . 0.428 ' HA ' ' HE3' ' B' ' 46' ' ' MET . 96.1 m-20 -62.08 -37.11 83.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.115 175.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -73.99 -35.58 64.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.535 177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.503 HD13 ' O ' ' B' ' 39' ' ' HIS . 11.2 mp -78.08 -4.07 45.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.005 178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 66.68 29.76 8.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.673 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.42 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 56.0 mt -90.99 79.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 174.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.428 ' HE3' ' HA ' ' B' ' 41' ' ' ASN . 19.9 mmt -78.33 -11.88 59.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.387 -176.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 65.0 m-20 -55.1 105.06 0.47 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.627 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -62.08 -50.85 4.32 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.407 2.738 . . . . 0.0 113.794 -171.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.529 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.1 mt-30 -68.84 -35.83 77.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.928 0.394 . . . . 0.0 110.128 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.585 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 40.8 m170 -66.28 -42.09 88.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.749 178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.577 ' O ' HD22 ' B' ' 55' ' ' LEU . 41.7 mtp180 -53.32 -53.59 48.7 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.978 171.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.26 -44.49 68.24 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.287 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.581 ' O ' HG21 ' A' ' 56' ' ' THR . 29.9 mtpt -64.92 -51.58 61.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.797 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 84.9 mt -55.49 -45.17 77.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.348 -178.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -63.2 -42.27 99.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.895 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.58 HG21 ' O ' ' A' ' 53' ' ' LYS . 29.9 m -64.35 -41.14 96.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.167 0.508 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.659 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -62.12 -43.46 98.78 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.863 177.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.52 91.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.715 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.5 mm-40 -57.77 -53.01 63.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.063 178.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.686 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.9 mp -74.17 -21.81 59.68 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.147 -176.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 57' ' ' ALA . 41.4 mt -73.96 -29.67 62.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.34 0.591 . . . . 0.0 110.124 172.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 tp -72.05 -41.45 67.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.342 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.509 ' OD2' ' HD3' ' A' ' 2' ' ' PRO . 1.1 m-20 -89.7 -46.46 8.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.351 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' B' ' 60' ' ' LEU . 90.5 m-85 -96.67 52.93 1.23 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.039 0.447 . . . . 0.0 110.801 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -77.77 43.24 0.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.597 0.713 . . . . 0.0 110.608 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.4 p 46.72 40.18 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.535 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.83 32.91 3.62 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.557 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 83.6 m 63.49 165.78 0.13 Allowed 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 121.48 0.657 . . . . 0.0 111.961 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.588 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.065 -0.414 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -61.85 121.67 9.86 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.8 2.334 . . . . 0.0 112.168 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -92.6 -17.86 23.82 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.646 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.499 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 45.1 p -126.41 169.39 13.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.81 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.6 tm? -62.81 -46.47 87.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.977 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.415 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 58.2 t-80 -51.59 -46.84 63.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.165 179.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.499 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 27.1 mm-40 -69.58 -32.41 71.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.711 -176.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -70.0 -43.8 70.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.316 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.7 mm? -62.06 -41.94 98.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 42.2 mt-10 -66.71 -31.44 72.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.868 0.366 . . . . 0.0 110.427 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -64.77 -46.21 83.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.183 -178.291 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.4 pt -87.67 -14.52 9.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.526 -177.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.52 30.8 8.78 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.998 174.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.8 mm? -121.8 33.88 5.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.943 0.402 . . . . 0.0 110.24 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.2 pt-20 -61.41 -15.84 40.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.798 179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.27 -16.97 63.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.922 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -119.09 5.94 11.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.976 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.495 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 15.3 m -55.29 -46.88 76.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.898 0.38 . . . . 0.0 110.424 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.6 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 33.5 t -61.98 -39.3 91.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.915 176.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -56.55 -51.98 66.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.27 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.4 mm? -59.8 -52.12 66.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.197 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.98 -45.19 71.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 0.0 112.174 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 19' ' ' SER . 87.4 mt -68.37 -30.35 69.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.973 0.416 . . . . 0.0 111.081 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' ND2' ' HG ' ' A' ' 43' ' ' LEU . 28.7 m-80 -91.25 4.92 51.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.369 -177.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.8 -4.67 42.54 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.002 172.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.487 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.2 m-85 -89.47 82.49 6.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.104 0.478 . . . . 0.0 109.865 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -109.21 -11.74 14.87 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.711 -174.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -128.81 167.69 16.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.546 178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.6 mt -65.68 -27.98 68.75 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.623 175.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 31.9 mt-10 -70.31 -27.17 64.18 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.636 178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.475 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 54.5 m-20 -80.37 -47.48 14.38 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.503 ' HD1' HD12 ' A' ' 61' ' ' LEU . 41.9 t80 -65.54 -28.99 69.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.478 -0.783 . . . . 0.0 112.061 -173.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 18.6 ptpt -66.36 -9.1 30.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.938 0.399 . . . . 0.0 111.059 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -104.72 2.61 30.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.317 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.491 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -72.44 124.69 25.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.868 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' C ' HD11 ' A' ' 55' ' ' LEU . 21.3 mmt180 -121.16 166.94 13.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.372 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.511 ' N ' HD11 ' A' ' 55' ' ' LEU . 39.6 tt0 -63.51 -42.26 98.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.945 0.402 . . . . 0.0 110.575 -177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 m -60.4 -23.62 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.362 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.408 ' O ' HD13 ' A' ' 43' ' ' LEU . 39.1 m170 -76.38 -40.73 50.23 Favored 'General case' 0 C--O 1.218 -0.602 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -59.6 -33.86 72.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.821 175.599 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -56.67 -40.07 74.88 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.159 0.504 . . . . 0.0 110.073 171.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -76.42 -33.08 58.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.975 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.416 ' HG ' ' ND2' ' A' ' 24' ' ' ASN . 11.0 mp -81.0 -0.75 40.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.149 178.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 64.83 30.85 12.0 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.896 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.468 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 60.5 mt -97.3 83.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.194 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.426 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 3.9 mmt -93.16 -9.8 38.11 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.624 -172.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 30.9 m-20 -61.18 110.18 2.8 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.219 177.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 34.7 Cg_exo -57.41 -47.0 23.97 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.88 3.053 . . . . 0.0 114.108 -171.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.621 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.5 mt-30 -68.49 -38.17 80.76 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 121.07 0.462 . . . . 0.0 110.04 178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.466 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 13.9 m170 -66.87 -40.72 87.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.51 ' O ' HD22 ' A' ' 55' ' ' LEU . 44.2 mtp180 -56.65 -56.78 17.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.103 170.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -50.45 -43.71 55.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.439 -176.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 34.7 mtpt -66.21 -50.1 65.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.71 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 95.4 mt -55.88 -46.95 78.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.528 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.665 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -63.32 -45.04 93.15 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.175 -179.442 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.6 HG21 ' O ' ' B' ' 53' ' ' LYS . 34.8 m -62.71 -39.44 94.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.059 0.457 . . . . 0.0 110.787 -179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.83 -45.06 95.95 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.912 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.78 96.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 8.0 mm-40 -57.66 -53.84 53.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.377 0.608 . . . . 0.0 110.273 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.5 mp -72.4 -31.66 65.73 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.784 -0.643 . . . . 0.0 112.347 -176.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.608 HD11 ' HG ' ' A' ' 8' ' ' LEU . 44.4 mt -67.53 -25.37 65.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 118.499 0.591 . . . . 0.0 110.757 176.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.476 HD23 ' NH2' ' B' ' 11' ' ' ARG . 33.1 tp -74.8 -32.66 62.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.748 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -103.52 -41.14 6.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.183 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 97.2 m-85 -100.05 48.41 0.93 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -175.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -80.68 37.06 0.4 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.03 0.443 . . . . 0.0 111.058 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.0 p 48.33 33.45 3.85 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.849 0.86 . . . . 0.0 112.741 -178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.04 34.89 2.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.351 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 99.3 m 65.81 159.73 0.12 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.245 0.618 . . . . 0.0 111.831 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.126 178.162 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -61.84 121.64 9.82 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.834 2.356 . . . . 0.0 112.144 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -92.53 -17.96 23.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.591 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.507 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 45.8 p -126.33 169.42 12.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.722 -177.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.476 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.6 tm? -63.06 -46.15 88.83 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.008 -178.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.408 ' HA ' ' CG2' ' B' ' 18' ' ' THR . 58.2 t-80 -51.79 -46.82 64.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.1 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.507 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.3 mm-40 -69.7 -32.41 70.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.742 -176.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.626 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -69.83 -43.81 71.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.364 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.522 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.7 mm? -62.15 -41.78 98.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.437 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 41.8 mt-10 -66.83 -31.59 72.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.925 0.393 . . . . 0.0 110.379 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.476 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.82 -45.7 85.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.345 -178.387 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.9 pt -87.98 -14.69 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.646 -177.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.78 30.54 8.89 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.062 174.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.522 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.8 mm? -121.58 33.77 5.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.888 0.375 . . . . 0.0 110.244 176.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.476 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 12.2 pt-20 -61.31 -16.14 42.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.857 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -63.89 -17.17 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.972 173.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -119.02 6.03 11.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.969 -176.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.476 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 16.2 m -55.44 -46.61 76.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.401 . . . . 0.0 110.483 178.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.594 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 32.8 t -62.0 -39.48 92.37 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.92 176.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -56.24 -52.14 65.54 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.931 0.396 . . . . 0.0 110.346 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.4 mm? -59.72 -52.13 66.82 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.162 177.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.8 mp -53.99 -45.04 71.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.129 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' ' 19' ' ' SER . 87.6 mt -68.68 -30.23 68.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.958 0.408 . . . . 0.0 111.037 -178.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.418 ' ND2' ' HG ' ' B' ' 43' ' ' LEU . 27.7 m-80 -91.32 5.11 50.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.434 -177.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.84 -4.8 42.45 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.947 172.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.5 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.0 m-85 -89.67 82.62 6.29 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.192 0.52 . . . . 0.0 109.971 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -109.46 -11.89 14.77 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.763 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 66.7 p -128.5 167.95 16.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.497 178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.0 mt -65.9 -27.69 68.39 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.587 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.416 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 32.5 mt-10 -70.78 -26.71 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.702 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 53.2 m-20 -80.58 -47.64 13.88 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 174.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.505 ' HD1' HD12 ' B' ' 61' ' ' LEU . 41.7 t80 -65.46 -28.95 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.05 -173.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 18.6 ptpt -66.45 -9.11 30.85 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.877 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -104.63 2.46 30.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.338 0.59 . . . . 0.0 110.374 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.484 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -72.23 124.69 25.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.858 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.455 ' C ' HD11 ' B' ' 55' ' ' LEU . 21.9 mmt180 -121.14 167.03 13.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.52 ' N ' HD11 ' B' ' 55' ' ' LEU . 39.4 tt0 -63.63 -42.14 98.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.885 0.374 . . . . 0.0 110.631 -177.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 39.3 m -60.53 -23.5 64.62 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.398 0.618 . . . . 0.0 110.347 178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' B' ' 36' ' ' ARG . 39.8 m170 -76.47 -40.57 49.99 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.484 ' CD1' HD11 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -59.63 -34.09 72.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.784 175.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . 0.409 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 5.3 m-20 -56.27 -40.56 74.42 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.328 0.585 . . . . 0.0 110.028 172.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.2 -33.2 59.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.865 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.418 ' HG ' ' ND2' ' B' ' 24' ' ' ASN . 10.9 mp -80.68 -1.0 40.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.111 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 64.84 31.15 11.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.676 0.75 . . . . 0.0 110.783 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.468 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 60.9 mt -97.35 83.6 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.169 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.414 ' HA ' ' CE ' ' B' ' 46' ' ' MET . 3.8 mmt -93.29 -9.44 39.0 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.51 -172.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 32.9 m-20 -61.3 110.35 2.98 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 123.354 0.408 . . . . 0.0 110.105 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 32.4 Cg_exo -57.72 -47.16 22.4 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.729 2.952 . . . . 0.0 114.126 -171.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.633 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.3 mt-30 -68.04 -38.28 82.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 0.0 110.094 178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.468 ' O ' ' HG ' ' B' ' 54' ' ' LEU . 13.8 m170 -66.91 -40.68 87.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.103 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.496 ' O ' HD22 ' B' ' 55' ' ' LEU . 44.0 mtp180 -56.56 -56.75 17.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.181 170.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.512 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -50.5 -43.6 55.76 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.488 -176.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 34.8 mtpt -66.26 -50.14 64.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.729 177.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 95.1 mt -55.8 -46.98 77.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.512 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.657 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.3 OUTLIER -63.26 -45.05 93.35 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.253 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.593 HG21 ' O ' ' A' ' 53' ' ' LYS . 35.8 m -62.77 -39.46 94.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.02 0.438 . . . . 0.0 110.732 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.646 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.85 -45.05 96.02 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.939 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.91 96.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 7.8 mm-40 -57.49 -54.0 51.84 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.359 178.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.5 mp -72.33 -31.76 65.94 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.282 -176.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.626 HD11 ' HG ' ' B' ' 8' ' ' LEU . 44.7 mt -67.49 -25.23 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 118.465 0.575 . . . . 0.0 110.797 176.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.449 HD23 ' NH2' ' A' ' 11' ' ' ARG . 33.4 tp -75.06 -32.46 61.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.791 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -103.62 -41.13 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.153 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.501 ' HB3' ' O ' ' A' ' 64' ' ' TYR . 97.2 m-85 -100.05 48.47 0.93 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.967 -175.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -80.98 37.41 0.43 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.334 0.588 . . . . 0.0 111.16 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 p 48.3 33.25 3.65 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.744 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -84.25 35.22 2.98 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.394 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 96.3 m 65.73 159.49 0.12 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.451 0.643 . . . . 0.0 111.907 -177.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.988 177.743 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -63.38 125.01 14.78 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.657 2.238 . . . . 0.0 112.142 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -99.09 -22.29 15.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.751 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.2 p -127.26 174.59 8.82 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.708 -176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.7 tm? -59.91 -53.2 60.62 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.444 -177.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' CD2' HG21 ' A' ' 18' ' ' THR . 11.6 t-160 -54.23 -42.35 69.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.217 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -62.18 -41.92 98.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.649 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.718 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.7 tm? -67.46 -43.33 81.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.214 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.1 mm? -60.85 -42.52 97.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.66 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -65.16 -35.36 80.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.698 0.285 . . . . 0.0 110.676 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -46.16 90.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.423 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.493 ' CG2' HG23 ' B' ' 56' ' ' THR . 36.7 pt -90.38 -13.19 9.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.849 -176.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.03 26.05 15.49 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.906 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.7 mm? -117.84 29.78 7.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.997 0.427 . . . . 0.0 110.064 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -22.32 60.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.164 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.1 pt-20 -56.55 -22.09 30.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.519 172.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.403 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 85.6 m-70 -115.98 10.82 15.24 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -176.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.411 HG21 ' CD2' ' A' ' 6' ' ' HIS . 31.9 m -55.34 -50.85 68.57 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.012 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.6 t -64.05 -32.67 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.978 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.3 m -60.33 -53.94 51.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.086 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 3.0 mm? -58.33 -51.81 68.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.722 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.9 tp -51.49 -48.14 62.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.919 -176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.2 mt -74.69 -26.35 59.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.667 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.486 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 24.3 m-80 -90.23 7.16 39.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.901 0.382 . . . . 0.0 111.557 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.94 1.26 42.18 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.759 172.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HA ' ' CB ' ' A' ' 31' ' ' ASP . 96.0 m-85 -99.52 82.82 2.7 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.253 0.549 . . . . 0.0 109.789 179.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -106.79 -16.73 14.41 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.714 -172.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.0 p -127.98 168.09 15.76 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.458 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 8' ' ' LEU . 85.3 mt -64.83 -29.24 70.19 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.343 0.592 . . . . 0.0 109.556 174.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -63.31 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.459 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 57.7 m-20 -82.78 -45.0 14.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.002 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.502 ' HD2' HD12 ' A' ' 61' ' ' LEU . 51.9 t80 -62.86 -29.6 70.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.872 -173.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.62 -4.95 21.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.113 0.482 . . . . 0.0 111.05 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -103.41 -1.19 28.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.924 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.4 tm? -72.29 129.48 38.52 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.106 -177.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -130.01 166.39 20.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.247 -178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' N ' HD11 ' A' ' 55' ' ' LEU . 39.9 tt0 -60.77 -43.44 98.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.159 0.504 . . . . 0.0 110.667 -177.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.4 m -58.93 -29.06 66.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.315 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.42 ' O ' HD13 ' A' ' 43' ' ' LEU . 28.4 m170 -75.9 -39.77 55.66 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.175 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.461 ' CD1' HD11 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -57.98 -34.62 70.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 176.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -57.99 -43.48 86.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.247 0.546 . . . . 0.0 109.915 172.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.83 -34.03 68.97 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.017 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' HG ' ' CG ' ' A' ' 24' ' ' ASN . 11.0 mp -78.48 -0.51 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.175 177.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 t30 66.36 26.06 10.27 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.808 0.813 . . . . 0.0 110.732 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.417 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 57.5 mt -91.02 87.7 2.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 33.2 mmt -87.71 -11.08 49.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.053 -176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.481 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 25.6 m-20 -58.87 102.92 0.32 Allowed Pre-proline 0 N--CA 1.465 0.296 0 O-C-N 123.662 0.601 . . . . 0.0 110.412 178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' A' ' 51' ' ' ARG . 32.2 Cg_exo -58.77 -51.35 7.2 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.858 3.038 . . . . 0.0 114.055 -169.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.617 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.0 mt-30 -69.26 -36.02 76.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.179 0.514 . . . . 0.0 110.08 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.481 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 26.5 m170 -68.92 -37.96 79.25 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.888 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.647 ' O ' HD22 ' A' ' 55' ' ' LEU . 39.7 mtp85 -57.43 -53.42 58.32 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.029 171.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.02 -41.23 64.49 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.324 -178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 38.6 mtpt -64.76 -50.66 65.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.812 177.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 89.4 mt -54.05 -45.45 71.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.571 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -62.64 -44.75 95.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.816 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.6 HG21 ' O ' ' B' ' 53' ' ' LYS . 31.0 m -60.25 -42.27 94.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.304 0.573 . . . . 0.0 110.987 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.618 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.94 -45.41 93.79 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.255 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.36 -41.64 89.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.5 mm-40 -57.6 -53.05 62.52 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.93 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.653 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.0 mp -70.62 -33.85 71.46 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.015 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.718 HD11 ' HG ' ' A' ' 8' ' ' LEU . 71.3 mt -67.85 -26.05 65.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.051 0.453 . . . . 0.0 110.775 177.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.472 HD23 ' NH2' ' B' ' 11' ' ' ARG . 34.6 tp -72.35 -32.9 66.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.584 -179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -99.93 -53.6 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.809 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -83.74 48.83 1.49 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.337 -174.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -80.96 47.47 1.0 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.398 0.618 . . . . 0.0 110.393 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 p 46.49 42.66 11.23 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.644 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.5 34.06 3.76 Favored Glycine 0 N--CA 1.454 -0.16 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.932 -177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.402 ' O ' ' HB ' ' B' ' 66' ' ' THR . 91.2 m 63.32 164.91 0.12 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.181 0.515 . . . . 0.0 112.076 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 . . . . . 0 C--O 1.249 1.037 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 -179.181 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.64 124.48 13.76 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.788 2.325 . . . . 0.0 112.235 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -98.5 -22.54 15.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.795 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -127.21 174.49 8.89 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.705 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.52 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.7 tm? -59.68 -53.1 61.89 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.45 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.417 ' CD2' HG21 ' B' ' 18' ' ' THR . 11.6 t-160 -54.35 -42.52 70.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.193 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.92 -42.04 98.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.665 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.72 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.6 tm? -67.4 -43.37 81.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.377 -178.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -60.69 -42.53 97.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.761 178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.2 -35.5 81.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.765 0.316 . . . . 0.0 110.717 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.472 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -60.13 -46.25 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.489 -178.386 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.489 ' CG2' HG23 ' A' ' 56' ' ' THR . 36.8 pt -90.39 -13.57 9.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.777 -176.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.31 26.14 14.64 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.598 -0.811 . . . . 0.0 112.922 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.524 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.7 mm? -117.79 29.78 7.64 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.009 0.433 . . . . 0.0 110.154 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -22.42 60.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.11 176.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.74 -21.22 26.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.569 173.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -116.74 10.97 14.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.719 -176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.417 HG21 ' CD2' ' B' ' 6' ' ' HIS . 32.0 m -55.45 -50.95 68.5 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.027 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 25.0 t -64.09 -32.82 74.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.182 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 17.7 m -59.99 -53.9 52.37 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.153 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 3.0 mm? -58.3 -51.75 68.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.743 175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.0 tp -51.56 -48.1 63.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.905 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 19' ' ' SER . 90.9 mt -74.74 -26.5 59.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.591 -176.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.472 ' CG ' ' HG ' ' B' ' 43' ' ' LEU . 22.6 m-80 -89.91 6.69 40.88 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.89 0.376 . . . . 0.0 111.439 -177.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.96 1.51 42.15 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.866 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.476 ' HA ' ' CB ' ' B' ' 31' ' ' ASP . 96.2 m-85 -99.68 83.02 2.7 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.333 0.587 . . . . 0.0 109.727 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -106.9 -16.65 14.41 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.714 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 58.6 p -127.99 168.35 15.41 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.303 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' B' ' 8' ' ' LEU . 85.7 mt -65.07 -29.19 70.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 109.446 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.33 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.487 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 54.9 m-20 -82.57 -45.1 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.011 177.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.505 ' HD2' HD12 ' B' ' 61' ' ' LEU . 51.9 t80 -63.17 -29.6 70.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.872 -173.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.35 -5.24 22.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.185 0.517 . . . . 0.0 111.031 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -103.17 -1.05 29.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.283 0.563 . . . . 0.0 110.03 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' B' ' 40' ' ' LEU . 3.4 tm? -72.3 129.52 38.6 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.115 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -130.06 166.25 20.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.114 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.415 ' N ' HD11 ' B' ' 55' ' ' LEU . 39.4 tt0 -60.81 -43.3 98.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.233 0.539 . . . . 0.0 110.658 -177.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 63.1 m -59.12 -28.84 66.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.379 178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.414 ' O ' HD13 ' B' ' 43' ' ' LEU . 28.0 m170 -76.17 -39.66 54.37 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.156 178.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' B' ' 35' ' ' LEU . 0.1 OUTLIER -58.08 -34.46 70.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.275 176.445 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -58.07 -43.42 86.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.168 0.509 . . . . 0.0 109.891 172.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -71.99 -33.87 68.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.932 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.472 ' HG ' ' CG ' ' B' ' 24' ' ' ASN . 10.9 mp -78.63 -0.07 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.079 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.17 25.54 10.68 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.788 0.804 . . . . 0.0 110.802 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.421 ' O ' ' HD2' ' B' ' 51' ' ' ARG . 56.5 mt -90.62 87.58 2.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.325 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 32.6 mmt -87.51 -11.72 48.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.066 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.476 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 23.5 m-20 -58.24 102.89 0.32 Allowed Pre-proline 0 N--CA 1.465 0.282 0 O-C-N 123.732 0.645 . . . . 0.0 110.429 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 34.0 Cg_exo -58.9 -51.13 7.44 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.87 3.046 . . . . 0.0 114.082 -169.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.638 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 53.5 mt-30 -69.44 -36.13 76.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.227 0.537 . . . . 0.0 110.061 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.476 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 26.0 m170 -68.72 -38.11 79.97 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.989 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.649 ' O ' HD22 ' B' ' 55' ' ' LEU . 40.5 mtp85 -57.39 -53.37 58.96 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.012 171.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.603 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.18 -41.07 64.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.255 -178.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.638 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 38.4 mtpt -64.79 -50.83 65.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 177.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 50' ' ' HIS . 89.2 mt -53.99 -45.23 71.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.583 -179.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.649 HD22 ' O ' ' B' ' 51' ' ' ARG . 0.1 OUTLIER -62.98 -44.59 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.764 179.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.551 HG21 ' O ' ' A' ' 53' ' ' LYS . 30.9 m -60.27 -42.36 95.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.874 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.653 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -61.96 -45.36 93.98 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.316 178.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.29 89.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.6 mm-40 -57.89 -52.9 63.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.92 178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.618 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.9 mp -70.69 -33.84 71.33 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.064 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.72 HD11 ' HG ' ' B' ' 8' ' ' LEU . 71.9 mt -67.72 -26.02 65.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.127 0.489 . . . . 0.0 110.833 177.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -72.24 -33.22 67.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.552 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -100.07 -52.75 3.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.924 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -84.13 48.7 1.52 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.34 -174.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -80.82 47.27 0.96 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.473 0.654 . . . . 0.0 110.42 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 68' ' ' CYS . 22.1 p 46.71 42.83 12.16 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.494 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.68 33.81 3.86 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.838 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 87.5 m 63.61 164.65 0.12 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.269 0.557 . . . . 0.0 112.05 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.746 -179.425 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.446 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 30.1 Cg_exo -62.82 121.67 9.67 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.645 2.23 . . . . 0.0 112.228 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -98.94 -14.59 19.47 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.154 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.9 p -124.63 170.3 11.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.479 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.2 tm? -63.48 -49.04 75.17 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.337 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -58.06 -42.25 85.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.058 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.44 -40.54 87.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.55 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.602 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.7 tm? -68.93 -42.7 76.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.339 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.6 mm? -61.9 -41.46 97.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 178.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 40.4 mt-10 -68.57 -29.41 67.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.95 0.405 . . . . 0.0 110.553 176.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -64.74 -39.85 94.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.453 -178.493 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.9 pt -97.38 -11.25 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.898 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.74 32.18 9.45 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.837 175.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.4 mm? -122.23 27.67 7.85 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.666 0.269 . . . . 0.0 110.688 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.422 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 11.9 pt-20 -57.67 -20.33 32.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.15 -20.78 60.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.248 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -116.08 8.99 14.65 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -54.62 -47.11 73.82 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.176 177.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 40.2 t -63.54 -40.02 95.92 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.098 177.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 m -54.59 -49.26 70.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.185 0.517 . . . . 0.0 110.444 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.4 mm? -63.32 -53.41 53.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.341 176.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -53.77 -43.33 69.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.222 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 19' ' ' SER . 93.2 mt -63.23 -35.21 79.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.003 0.43 . . . . 0.0 111.35 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -96.72 11.63 34.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.615 -174.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.59 -3.2 49.67 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.254 170.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.536 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 93.9 m-85 -88.82 76.45 7.97 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.051 0.453 . . . . 0.0 109.908 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -105.47 -12.09 16.14 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.826 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.2 p -127.04 165.18 19.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.375 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.7 mt -66.24 -26.67 67.47 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.18 -31.67 72.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.426 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 62.6 m-20 -82.11 -41.49 20.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.138 0.494 . . . . 0.0 109.873 177.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 35.9 t80 -66.24 -27.98 68.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.571 -175.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -72.73 -4.6 32.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.18 0.514 . . . . 0.0 110.614 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -105.5 0.31 26.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 109.388 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 40' ' ' LEU . 2.3 tm? -75.06 121.04 21.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.611 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.461 ' C ' HD11 ' A' ' 55' ' ' LEU . 36.4 mmt180 -126.18 162.5 25.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.901 -174.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.54 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.7 tt0 -58.73 -39.96 82.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.054 0.454 . . . . 0.0 110.785 -175.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.3 m -58.51 -30.68 67.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.233 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.664 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 56.8 m170 -77.89 -29.73 50.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.017 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.73 HD11 HD11 ' A' ' 35' ' ' LEU . 8.7 mp -66.81 -32.48 73.78 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 120.709 0.29 . . . . 0.0 110.419 175.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.546 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 95.9 m-20 -60.61 -36.72 79.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.294 0.569 . . . . 0.0 109.612 173.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.77 -37.25 65.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.274 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 53.0 mt -75.95 -8.78 57.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.232 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.89 23.15 6.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.375 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -86.54 84.88 2.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.681 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.546 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 24.0 mmt -90.06 -12.38 38.66 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.403 -173.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 3.1 m-20 -59.84 110.0 2.44 Favored Pre-proline 0 N--CA 1.465 0.285 0 CA-C-O 120.958 0.409 . . . . 0.0 110.29 177.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 31.7 Cg_exo -58.15 -51.85 6.91 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.919 3.079 . . . . 0.0 114.487 -170.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 35.3 mt-30 -65.63 -39.25 91.27 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.126 0.489 . . . . 0.0 110.089 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -64.62 -38.77 92.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.726 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 53.4 mtp180 -57.07 -57.25 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.184 171.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.55 -42.76 62.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.515 -176.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.602 ' O ' HG21 ' B' ' 56' ' ' THR . 33.0 mtpt -66.46 -50.62 62.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.911 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.9 mt -54.83 -45.93 74.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.523 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.616 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -65.87 -43.12 89.29 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.442 -179.684 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.571 HG21 ' O ' ' B' ' 53' ' ' LYS . 35.5 m -61.3 -40.55 94.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.18 0.514 . . . . 0.0 110.68 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.637 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.81 -45.29 94.5 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.255 176.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -41.41 92.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 5.6 mm-40 -57.56 -54.38 47.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.736 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.594 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.8 mp -69.43 -35.36 75.63 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.912 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.602 HD11 ' HG ' ' A' ' 8' ' ' LEU . 52.9 mt -64.78 -24.51 67.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 118.171 0.442 . . . . 0.0 111.346 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.513 HD23 ' NH2' ' B' ' 11' ' ' ARG . 37.1 tp -73.76 -34.61 64.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.77 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -101.06 -34.53 9.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.145 0.498 . . . . 0.0 111.804 -178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.44 ' O ' ' HB3' ' B' ' 64' ' ' TYR . 98.9 m-85 -107.05 48.54 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.432 -174.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.37 35.63 0.28 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.231 0.538 . . . . 0.0 110.741 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.415 ' H ' ' C ' ' A' ' 64' ' ' TYR . 1.5 p 48.87 34.3 5.25 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.326 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.37 39.07 2.99 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.5 m 62.71 161.63 0.09 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.316 0.646 . . . . 0.0 112.241 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.026 178.865 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.428 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 27.9 Cg_exo -62.85 121.63 9.6 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.593 2.196 . . . . 0.0 112.317 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -98.96 -14.34 19.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.264 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -124.95 170.48 11.07 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.334 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.519 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -63.86 -48.91 74.86 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.224 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -57.98 -42.2 84.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.112 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -59.61 -40.32 87.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.586 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.615 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.7 tm? -69.03 -42.83 75.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.314 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.528 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.6 mm? -61.7 -41.66 97.89 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.428 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 40.4 mt-10 -68.23 -29.77 68.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.894 0.378 . . . . 0.0 110.476 176.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.513 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.71 -39.74 94.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.357 -178.152 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.478 ' CG2' HG23 ' A' ' 56' ' ' THR . 41.7 pt -97.36 -11.2 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.803 -177.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.27 32.78 9.27 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.73 175.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.528 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.3 mm? -122.59 28.03 7.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.774 0.321 . . . . 0.0 110.667 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.428 ' HB3' ' HG2' ' B' ' 10' ' ' GLU . 11.8 pt-20 -58.11 -20.3 38.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.05 -20.48 58.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.21 176.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -116.21 8.9 14.47 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -54.66 -46.93 74.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.151 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 47.3 t -63.67 -40.31 96.51 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.129 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 11.9 m -54.19 -49.35 69.56 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.091 0.472 . . . . 0.0 110.42 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.4 mm? -63.29 -53.52 51.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.244 176.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -53.6 -43.32 68.5 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.267 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 19' ' ' SER . 93.2 mt -63.38 -35.07 79.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.065 0.46 . . . . 0.0 111.298 -178.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -96.6 11.0 36.82 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.585 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.14 -3.38 47.8 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.245 170.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.539 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 93.4 m-85 -88.7 76.46 8.06 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.132 0.492 . . . . 0.0 109.891 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -105.66 -11.79 16.18 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.677 -174.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -127.29 165.13 20.27 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.324 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.27 -26.49 67.36 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 174.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.32 -31.95 73.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.372 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.469 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 62.7 m-20 -81.83 -41.44 21.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.047 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.457 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 36.2 t80 -66.36 -27.82 68.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.617 -175.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.14 -3.87 29.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.316 0.579 . . . . 0.0 110.607 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -105.9 0.04 25.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.773 0.797 . . . . 0.0 109.445 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.717 HD11 HD11 ' B' ' 40' ' ' LEU . 2.3 tm? -74.98 121.01 21.3 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.636 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.466 ' C ' HD11 ' B' ' 55' ' ' LEU . 36.4 mmt180 -126.15 162.37 25.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.924 -174.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.536 ' N ' HD11 ' B' ' 55' ' ' LEU . 44.5 tt0 -58.42 -39.94 81.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.036 0.446 . . . . 0.0 110.811 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.6 m -58.56 -30.8 67.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.512 0.672 . . . . 0.0 110.443 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.654 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 56.5 m170 -77.73 -29.94 51.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.839 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.717 HD11 HD11 ' B' ' 35' ' ' LEU . 8.7 mp -66.67 -32.53 73.9 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 110.421 175.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . 0.593 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 95.6 m-20 -60.49 -36.8 79.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.292 0.568 . . . . 0.0 109.582 173.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.83 -36.86 64.97 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.394 177.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.654 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 53.3 mt -76.17 -9.32 58.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.2 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 69.14 23.56 6.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.381 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 67.8 mt -86.98 84.89 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.609 178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.593 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 24.1 mmt -90.1 -12.16 39.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.46 -173.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -59.71 109.91 2.34 Favored Pre-proline 0 N--CA 1.464 0.275 0 O-C-N 123.442 0.464 . . . . 0.0 110.396 177.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' B' ' 51' ' ' ARG . 31.8 Cg_exo -58.06 -52.01 6.67 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.976 3.117 . . . . 0.0 114.438 -170.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.599 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 35.8 mt-30 -65.54 -39.4 91.71 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.089 0.471 . . . . 0.0 110.224 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -64.51 -38.7 91.93 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.692 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 53.3 mtp180 -57.23 -57.11 14.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.182 171.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.507 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.62 -42.78 62.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.604 -177.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 32.9 mtpt -66.29 -50.68 62.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.87 179.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.9 -45.91 74.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.484 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.626 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.5 OUTLIER -65.94 -42.99 89.34 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.454 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.602 HG21 ' O ' ' A' ' 53' ' ' LYS . 34.6 m -61.44 -40.42 94.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.085 0.469 . . . . 0.0 110.757 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.594 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -61.89 -45.21 94.76 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.173 176.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -41.44 92.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 5.7 mm-40 -57.55 -54.5 46.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.637 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.637 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.8 mp -69.31 -35.42 75.95 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.963 -176.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.615 HD11 ' HG ' ' B' ' 8' ' ' LEU . 53.2 mt -64.82 -24.29 67.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 118.192 0.451 . . . . 0.0 111.346 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.51 HD23 ' NH2' ' A' ' 11' ' ' ARG . 37.6 tp -74.34 -33.78 63.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -101.79 -34.24 9.5 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.073 0.463 . . . . 0.0 111.793 -179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.446 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 98.9 m-85 -107.28 48.62 0.83 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.457 -174.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -79.34 35.12 0.27 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.175 0.512 . . . . 0.0 110.893 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.414 ' H ' ' C ' ' B' ' 64' ' ' TYR . 1.4 p 49.42 34.35 6.55 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.196 -175.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.49 38.4 3.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.631 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 81.7 m 62.98 161.43 0.09 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.546 0.688 . . . . 0.0 112.278 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.188 178.836 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 112.316 -0.313 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.79 123.14 10.1 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.836 2.357 . . . . 0.0 112.3 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -100.76 -6.53 24.81 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.62 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.2 p -125.65 163.97 21.63 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.191 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.513 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.6 tm? -65.44 -43.35 90.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.968 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.57 -48.15 75.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.938 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.35 -31.8 73.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.839 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -70.3 -42.22 72.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.533 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.8 mm? -62.17 -39.61 93.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.818 178.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.462 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 44.1 mt-10 -68.86 -30.47 69.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.919 0.39 . . . . 0.0 110.446 176.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -41.44 96.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.979 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' B' ' 56' ' ' THR . 41.2 pt -92.84 -14.6 8.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.889 -177.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.42 27.49 13.11 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.812 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.512 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.8 mm? -119.09 31.39 6.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.96 0.41 . . . . 0.0 110.127 178.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 12.8 pt-20 -59.61 -19.11 46.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.816 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' HG3' ' CD2' ' A' ' 17' ' ' HIS . 11.6 pt-20 -60.87 -19.69 60.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.082 175.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.478 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 78.4 m-70 -120.09 9.91 11.28 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -175.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.1 m -54.53 -48.08 72.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 110.475 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 23.0 t -64.72 -37.12 86.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.115 178.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.0 m -55.19 -49.3 72.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.038 0.447 . . . . 0.0 110.45 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.506 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.7 mm? -64.12 -51.42 64.05 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.444 177.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CD1' HD12 ' A' ' 5' ' ' LEU . 5.7 mp -54.19 -44.93 72.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.087 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 19' ' ' SER . 90.1 mt -67.52 -25.39 65.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.329 -177.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -100.95 11.24 40.0 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.088 0.471 . . . . 0.0 111.446 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.12 -10.19 56.71 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.793 -0.717 . . . . 0.0 113.083 170.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.3 m-85 -83.34 76.24 9.92 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.114 0.483 . . . . 0.0 109.849 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -108.74 -1.75 19.13 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.467 -176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.6 p -133.87 157.94 44.68 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.147 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.5 mt -68.81 -26.39 65.16 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.766 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.67 -24.4 59.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.014 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.7 -35.43 15.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.513 ' CD2' HD21 ' A' ' 5' ' ' LEU . 44.4 t80 -67.45 -25.8 66.08 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.308 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 18.2 ptpt -69.67 -4.27 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.811 -0.555 . . . . 0.0 110.68 176.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.71 0.93 33.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.69 175.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -71.28 131.31 43.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.708 -179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -132.03 166.55 21.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.926 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.531 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.2 tt0 -67.98 -37.49 81.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.081 0.467 . . . . 0.0 109.759 -179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.2 m -60.51 -30.9 70.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.835 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.746 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 65.6 m170 -76.13 -31.24 58.52 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.746 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.593 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 6.9 mp -68.45 -31.83 71.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.83 175.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.12 -32.56 71.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.482 0.658 . . . . 0.0 109.505 172.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 12.0 mm-40 -78.16 -37.5 45.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.353 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.746 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 62.7 mt -78.15 -3.3 41.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.287 -178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t30 67.77 28.62 7.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.772 0.796 . . . . 0.0 110.168 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.44 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 54.0 mt -100.69 77.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.494 178.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.4 -9.13 57.96 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.992 -175.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 21.9 m-20 -60.68 109.53 2.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.569 178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 48.9 Cg_exo -56.02 -46.91 27.67 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.963 3.109 . . . . 0.0 114.281 -171.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 51.6 mt-30 -69.34 -36.88 77.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.349 179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -66.74 -39.71 88.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.593 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 41.8 mtp180 -57.53 -54.77 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.248 171.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.18 -43.64 64.26 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.397 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 27.9 mtpt -67.72 -53.21 29.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.139 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.431 HD12 HD21 ' A' ' 40' ' ' LEU . 84.7 mt -56.0 -42.71 76.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.412 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 3.7 mm? -64.9 -43.87 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.558 HG21 ' O ' ' B' ' 53' ' ' LYS . 48.2 m -64.57 -38.57 91.47 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.061 0.458 . . . . 0.0 110.658 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.604 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.76 -45.0 96.03 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.967 175.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -43.21 99.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 9.0 mm-40 -57.63 -52.66 64.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.952 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.631 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.0 mp -68.57 -43.93 75.52 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.579 -178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD11 ' HG ' ' A' ' 8' ' ' LEU . 77.2 mt -59.92 -27.15 66.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.251 0.478 . . . . 0.0 111.122 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 59' ' ' GLU . 50.8 tp -62.32 -37.51 85.87 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.737 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -106.66 -25.77 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.369 -176.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.462 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 98.3 m-85 -116.24 37.91 3.55 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -170.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -78.84 48.99 0.87 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.37 0.605 . . . . 0.0 111.234 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.405 ' OG1' ' HG2' ' B' ' 69' ' ' GLU . 17.4 p 50.51 35.46 11.36 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.232 -0.894 . . . . 0.0 112.611 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.13 33.98 4.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.842 -177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 91.7 m 63.14 174.94 0.15 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.881 0.472 . . . . 0.0 112.154 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.414 ' HG2' ' OG1' ' B' ' 66' ' ' THR . 42.0 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.532 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.8 123.35 10.32 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.889 2.392 . . . . 0.0 112.197 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -100.87 -7.07 23.87 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.567 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.1 p -125.14 163.7 21.85 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.279 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.6 tm? -65.17 -43.46 91.65 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.937 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -55.37 -48.21 74.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.914 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.4 -31.59 72.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.967 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.482 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -70.47 -42.0 72.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.635 -179.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.504 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.8 mm? -62.41 -39.56 93.68 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.84 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.46 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 44.9 mt-10 -69.07 -30.24 68.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.909 0.385 . . . . 0.0 110.46 176.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.412 ' NH1' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -64.22 -41.48 97.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.087 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.9 pt -93.08 -14.22 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.891 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.09 27.4 13.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.795 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.504 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.7 mm? -119.01 31.16 6.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.903 0.382 . . . . 0.0 110.144 178.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.46 ' HB3' ' HG2' ' B' ' 10' ' ' GLU . 12.7 pt-20 -59.53 -19.04 45.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.758 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' B' ' 17' ' ' HIS . 11.6 pt-20 -61.04 -19.63 61.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.025 175.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.467 ' CD2' ' HG3' ' B' ' 16' ' ' GLU . 78.7 m-70 -120.12 10.06 11.31 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -175.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.8 m -54.81 -47.58 73.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.945 0.402 . . . . 0.0 110.563 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 22.7 t -65.15 -37.39 87.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.919 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.7 m -54.82 -49.4 71.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.953 0.406 . . . . 0.0 110.491 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.518 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.7 mm? -64.08 -51.56 63.47 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.38 177.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.438 ' CD1' HD12 ' B' ' 5' ' ' LEU . 5.7 mp -54.02 -45.32 71.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.053 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' B' ' 19' ' ' SER . 90.9 mt -67.1 -25.19 66.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.399 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -101.04 11.06 40.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.183 0.516 . . . . 0.0 111.48 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.2 -10.41 56.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.075 171.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.518 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.1 m-85 -83.11 76.07 9.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.2 0.524 . . . . 0.0 109.896 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -108.67 -1.8 19.19 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.561 -176.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 42.1 p -133.71 158.03 44.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.347 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 73.6 mt -68.61 -26.77 65.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.705 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.37 -24.28 60.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.056 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -89.93 -35.51 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.144 0.497 . . . . 0.0 109.685 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' B' ' 5' ' ' LEU . 44.1 t80 -67.3 -25.56 66.09 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.3 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 18.3 ptpt -69.67 -4.64 20.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.808 -0.558 . . . . 0.0 110.662 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -102.24 0.66 34.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.802 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.557 HD11 HD11 ' B' ' 40' ' ' LEU . 3.3 tm? -71.15 131.34 43.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.786 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -132.22 166.31 22.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.9 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.526 ' N ' HD11 ' B' ' 55' ' ' LEU . 43.7 tt0 -67.5 -37.58 83.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.136 0.493 . . . . 0.0 109.861 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 17.9 m -60.77 -30.73 70.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.811 174.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.753 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 65.8 m170 -75.98 -31.35 58.96 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.818 178.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.587 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 6.9 mp -68.55 -31.69 71.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.769 175.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.26 -32.36 71.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.371 0.605 . . . . 0.0 109.453 172.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 39' ' ' HIS . 11.2 mm-40 -78.35 -37.31 44.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.431 176.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 63.1 mt -78.28 -3.54 43.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.286 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t30 68.1 28.26 6.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.193 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.454 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 54.4 mt -100.26 77.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.529 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 26.1 mmt -85.34 -8.63 58.37 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.949 -175.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 22.3 m-20 -61.16 109.83 2.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.571 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 47.0 Cg_exo -56.11 -46.68 29.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.938 3.092 . . . . 0.0 114.243 -171.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.593 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 51.5 mt-30 -69.67 -36.76 76.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.934 0.397 . . . . 0.0 110.32 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -66.77 -39.7 87.94 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.587 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 42.1 mtp180 -57.5 -54.78 42.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.315 171.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.475 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.2 -43.57 64.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.438 -178.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 27.9 mtpt -67.68 -53.22 29.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.138 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.412 HD12 HD21 ' B' ' 40' ' ' LEU . 84.3 mt -55.89 -42.89 76.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.327 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 3.7 mm? -64.88 -43.67 92.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.552 HG21 ' O ' ' A' ' 53' ' ' LYS . 50.8 m -64.69 -38.55 91.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.929 0.395 . . . . 0.0 110.501 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.631 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.95 -45.05 96.28 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.889 176.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.13 99.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.031 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 10.5 mm-40 -57.74 -52.66 64.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.882 178.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.604 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.1 mp -68.56 -44.02 75.38 Favored 'General case' 0 C--O 1.212 -0.904 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.665 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' B' ' 8' ' ' LEU . 77.1 mt -59.88 -27.34 66.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.139 0.427 . . . . 0.0 111.061 179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' B' ' 59' ' ' GLU . 50.0 tp -61.88 -38.14 87.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.812 177.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -106.07 -26.06 11.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.27 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 98.3 m-85 -115.87 37.94 3.48 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -170.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -78.83 49.14 0.88 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.38 0.61 . . . . 0.0 111.22 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.414 ' OG1' ' HG2' ' A' ' 69' ' ' GLU . 17.1 p 50.31 35.75 11.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.565 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -89.34 34.33 4.03 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.905 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 92.9 m 62.82 174.55 0.15 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.113 0.482 . . . . 0.0 112.117 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.405 ' HG2' ' OG1' ' A' ' 66' ' ' THR . 41.9 mt-10 . . . . . 0 C--O 1.246 0.886 0 CA-C-O 118.671 -0.681 . . . . 0.0 110.333 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 112.412 -0.275 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD3' ' OD2' ' B' ' 63' ' ' ASP . 3.2 Cg_exo -76.43 121.41 6.02 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.772 2.314 . . . . 0.0 111.884 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -102.3 -22.35 14.15 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.193 0.521 . . . . 0.0 109.911 177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.48 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 48.8 p -114.87 171.07 7.87 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.501 -177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.475 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.5 tm? -63.22 -47.11 83.88 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.28 -178.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.45 ' HA ' ' CG2' ' A' ' 18' ' ' THR . 53.7 t-80 -53.37 -46.67 69.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.369 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.48 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 24.9 mm-40 -68.46 -33.49 74.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.435 -176.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.56 ' HG ' HD11 ' A' ' 61' ' ' LEU . 3.0 tm? -66.76 -42.73 85.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.357 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.1 mm? -62.2 -38.25 88.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.83 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.09 -31.78 69.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.832 0.349 . . . . 0.0 110.556 177.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.503 ' HD2' ' HB3' ' B' ' 59' ' ' GLU . 14.3 tpp180 -61.2 -43.75 98.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.578 177.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.487 ' CG2' HG23 ' B' ' 56' ' ' THR . 40.3 pt -91.18 -12.86 9.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 C-N-CA 120.739 -0.384 . . . . 0.0 111.873 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.79 20.45 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.544 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.9 mm? -118.35 30.32 7.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.926 0.394 . . . . 0.0 110.272 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.509 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.3 pt-20 -59.28 -19.26 44.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.58 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -58.21 -21.69 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.047 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -121.22 12.69 11.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.987 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.509 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 13.3 m -56.52 -47.11 80.07 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.452 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.492 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.3 m -64.13 -35.78 81.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.413 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -58.24 -51.87 67.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.062 0.458 . . . . 0.0 110.1 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.1 mm? -63.19 -52.87 60.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.14 176.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 tp -52.16 -48.48 64.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.969 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 19' ' ' SER . 92.9 mt -70.87 -26.93 63.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.471 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -96.14 18.8 12.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.624 -176.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.31 -7.54 56.53 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.704 -0.76 . . . . 0.0 113.0 170.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 95.0 m-85 -90.92 82.3 5.65 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.269 0.556 . . . . 0.0 109.963 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -109.5 -17.57 13.72 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.932 -174.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 56.0 p -125.25 168.79 12.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.3 mt -68.69 -27.45 65.97 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.37 -28.89 67.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.545 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.484 ' HB3' ' HA ' ' A' ' 26' ' ' TYR . 61.1 m-20 -78.63 -48.07 15.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.009 0.433 . . . . 0.0 109.856 175.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.416 ' CD2' HD21 ' A' ' 5' ' ' LEU . 42.5 t80 -63.38 -27.93 69.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.909 -173.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 17.6 ptpt -67.12 -9.4 39.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.012 -0.43 . . . . 0.0 111.021 178.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -100.07 2.81 43.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.392 0.615 . . . . 0.0 110.215 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 40' ' ' LEU . 3.3 tm? -71.17 132.26 44.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.444 -178.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -128.64 162.78 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.12 -177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' N ' HD11 ' A' ' 55' ' ' LEU . 45.1 tt0 -65.86 -40.78 91.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.931 0.396 . . . . 0.0 110.249 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 38.8 m -61.78 -26.09 67.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.096 176.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.755 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 37.3 m170 -75.45 -35.0 61.0 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.493 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 5.4 mp -65.75 -34.33 77.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.538 174.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.2 m-20 -58.17 -36.52 73.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.424 0.63 . . . . 0.0 109.909 171.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 38' ' ' THR . 18.8 mm-40 -74.04 -39.89 63.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.555 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.755 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 49.2 mt -78.25 -5.58 52.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.971 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 66.97 32.29 6.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.493 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 64.7 mt -94.62 79.99 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 175.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.412 ' HE2' ' HA ' ' A' ' 46' ' ' MET . 2.2 mmt -88.08 -11.04 48.29 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.455 -172.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 9.1 m-20 -59.12 110.1 2.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.475 177.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 32.0 Cg_exo -58.33 -49.15 13.02 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.893 3.062 . . . . 0.0 114.391 -170.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 54.5 mt-30 -68.58 -35.08 76.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.091 0.472 . . . . 0.0 109.945 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -67.63 -39.43 84.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.405 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HG2' HD23 ' A' ' 40' ' ' LEU . 41.9 mtp180 -57.87 -53.54 57.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.262 171.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.454 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.57 -43.11 65.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.364 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.591 ' O ' HG21 ' B' ' 56' ' ' THR . 29.0 mtpt -66.39 -51.73 54.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.975 178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.2 mt -55.73 -43.93 77.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.402 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD11 ' N ' ' A' ' 37' ' ' GLU . 3.9 mm? -65.8 -40.67 92.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.433 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.568 HG21 ' O ' ' B' ' 53' ' ' LYS . 40.8 m -65.17 -41.49 94.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.07 0.462 . . . . 0.0 110.633 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.641 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.33 -43.51 98.74 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.113 177.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.36 -45.59 92.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.526 ' HB3' ' HD2' ' B' ' 11' ' ' ARG . 30.4 mm-40 -57.98 -48.62 79.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.529 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.636 HD22 ' HA ' ' B' ' 57' ' ' ALA . 7.3 mp -68.4 -48.24 65.2 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.44 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.56 HD11 ' HG ' ' A' ' 8' ' ' LEU . 60.9 mt -56.77 -25.89 56.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.622 0.248 . . . . 0.0 111.236 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.04 -42.18 76.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.48 ' OD2' ' HD3' ' B' ' 2' ' ' PRO . 40.6 m-20 -107.87 -28.79 9.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.037 0.446 . . . . 0.0 112.142 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.476 ' HB3' ' HB3' ' B' ' 64' ' ' TYR . 98.2 m-85 -104.88 29.43 6.28 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -169.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 61' ' ' LEU . 8.6 p-10 -78.37 55.72 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.332 0.587 . . . . 0.0 112.035 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.4 p 49.6 39.38 17.11 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.757 0.823 . . . . 0.0 112.538 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.49 27.19 9.05 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.315 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 11.6 m 59.77 -171.52 0.13 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.091 0.472 . . . . 0.0 111.8 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.524 -0.751 . . . . 0.0 110.226 178.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 112.261 -0.336 . . . . 0.0 112.261 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.48 ' HD3' ' OD2' ' A' ' 63' ' ' ASP . 2.8 Cg_exo -76.13 121.64 6.25 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.752 2.301 . . . . 0.0 111.798 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -102.64 -22.19 14.01 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.178 0.513 . . . . 0.0 109.972 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.471 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 48.6 p -114.57 171.65 7.51 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.508 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.5 tm? -63.89 -46.98 82.45 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.098 -178.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.447 ' HA ' ' CG2' ' B' ' 18' ' ' THR . 53.6 t-80 -53.37 -46.69 69.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.405 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.471 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 25.2 mm-40 -68.42 -33.5 74.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.498 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.57 ' HG ' HD11 ' B' ' 61' ' ' LEU . 3.0 tm? -66.82 -42.7 85.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.302 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.496 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -62.23 -38.17 88.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.912 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -70.07 -31.92 69.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.769 0.318 . . . . 0.0 110.428 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.526 ' HD2' ' HB3' ' A' ' 59' ' ' GLU . 14.3 tpp180 -61.11 -43.97 98.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.587 177.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.488 ' CG2' HG23 ' A' ' 56' ' ' THR . 40.0 pt -90.93 -13.18 9.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.791 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.13 28.52 20.23 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.556 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.496 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.9 mm? -118.14 30.17 7.39 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.813 0.34 . . . . 0.0 110.212 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.504 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 12.3 pt-20 -59.21 -18.88 40.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.577 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -59.06 -20.2 51.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.142 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -122.19 12.94 10.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.996 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.504 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 14.3 m -56.71 -47.17 80.55 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.406 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.48 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 15.2 m -63.99 -36.05 82.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.312 178.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -57.96 -51.97 67.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.033 0.444 . . . . 0.0 110.064 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.509 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.0 mm? -63.2 -52.81 60.8 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.239 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 22.2 tp -52.15 -48.58 64.83 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.826 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' B' ' 19' ' ' SER . 92.8 mt -70.72 -27.17 63.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.515 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -95.98 18.6 13.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.974 0.416 . . . . 0.0 111.605 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.68 -7.9 56.0 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.829 -0.7 . . . . 0.0 113.009 170.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 95.1 m-85 -90.67 82.51 5.77 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.313 0.578 . . . . 0.0 110.146 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -109.62 -17.53 13.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.966 -173.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 53.0 p -125.34 169.16 12.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.458 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.79 -26.9 65.44 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.26 -28.42 66.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.542 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.49 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 58.1 m-20 -78.92 -48.0 15.4 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 121.075 0.464 . . . . 0.0 109.8 175.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.423 ' CD2' HD21 ' B' ' 5' ' ' LEU . 42.5 t80 -63.29 -27.9 69.65 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.926 -173.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.463 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 17.7 ptpt -67.21 -9.29 38.78 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.143 178.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -100.24 3.05 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.329 0.585 . . . . 0.0 110.108 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.464 HD11 HD11 ' B' ' 40' ' ' LEU . 3.3 tm? -71.36 132.03 44.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.33 -178.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -128.62 162.82 26.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.063 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.505 ' N ' HD11 ' B' ' 55' ' ' LEU . 45.3 tt0 -65.78 -40.64 92.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 0.0 110.4 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' B' ' 42' ' ' GLU . 51.7 m -62.18 -25.63 67.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.351 0.596 . . . . 0.0 110.226 176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.75 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 37.8 m170 -75.52 -34.84 60.81 Favored 'General case' 0 C--O 1.22 -0.463 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.488 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 5.4 mp -66.01 -34.33 77.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.355 174.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' B' ' 38' ' ' THR . 6.1 m-20 -58.26 -36.49 73.32 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.336 0.589 . . . . 0.0 109.761 171.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 38' ' ' THR . 22.7 mm-40 -73.91 -40.01 63.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.63 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 48.7 mt -78.17 -5.42 51.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.068 -178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 67.11 31.65 6.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.608 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.488 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 64.4 mt -94.23 79.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.466 -0.788 . . . . 0.0 108.966 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 2.1 mmt -87.61 -11.22 49.2 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.571 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -58.85 110.08 2.37 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.362 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.41 -49.46 12.11 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.936 3.091 . . . . 0.0 114.342 -170.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.592 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.8 mt-30 -68.28 -35.1 77.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.061 0.458 . . . . 0.0 109.977 179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -67.72 -39.53 84.3 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.383 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.451 ' HG2' HD23 ' B' ' 40' ' ' LEU . 42.3 mtp180 -57.46 -53.84 53.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.275 171.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.454 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.55 -43.05 64.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.252 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 29.1 mtpt -66.34 -51.76 54.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.991 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 88.7 mt -55.73 -44.07 77.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.372 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.505 HD11 ' N ' ' B' ' 37' ' ' GLU . 3.9 mm? -65.7 -40.66 92.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.421 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.591 HG21 ' O ' ' A' ' 53' ' ' LYS . 40.6 m -65.29 -41.38 94.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.13 0.49 . . . . 0.0 110.631 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.636 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -61.33 -43.53 98.71 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.073 177.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.46 -45.59 92.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.791 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.503 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 32.2 mm-40 -57.87 -48.58 79.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.505 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.3 mp -68.6 -48.14 64.9 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.704 -0.398 . . . . 0.0 111.372 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.57 HD11 ' HG ' ' B' ' 8' ' ' LEU . 60.9 mt -56.9 -25.87 57.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 117.761 0.255 . . . . 0.0 111.281 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 49.4 tp -55.95 -42.12 75.71 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 177.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.464 ' OD2' ' HD3' ' A' ' 2' ' ' PRO . 38.1 m-20 -108.32 -28.02 9.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.171 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.476 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . 98.2 m-85 -105.51 29.53 6.45 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -169.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.62 56.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.367 0.603 . . . . 0.0 111.979 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.1 p 49.53 39.2 16.39 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 123.806 0.842 . . . . 0.0 112.536 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.75 27.94 8.43 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.346 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 10.5 m 59.4 -171.17 0.12 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.044 0.449 . . . . 0.0 111.86 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.18 178.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.807 -0.517 . . . . 0.0 111.807 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -61.26 114.16 2.08 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.67 2.247 . . . . 0.0 112.064 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -87.42 -20.54 26.5 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.431 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.617 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 70.9 p -123.41 170.13 10.66 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.184 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.2 tm? -65.49 -43.11 91.21 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.87 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -53.76 -47.19 70.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.088 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.617 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 26.7 mm-40 -67.04 -31.8 72.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.349 -177.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.516 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.9 tm? -69.63 -43.32 72.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.118 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.1 mm? -63.0 -41.16 99.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.867 178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 42.4 mt-10 -67.67 -28.01 67.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.008 0.432 . . . . 0.0 110.369 176.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.551 ' NH2' HD23 ' B' ' 62' ' ' LEU . 0.0 OUTLIER -67.18 -44.62 79.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.183 -178.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.2 pt -93.02 -6.78 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.901 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.7 28.28 24.51 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.787 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.535 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.5 mm? -119.46 28.41 8.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.847 0.356 . . . . 0.0 110.569 177.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.489 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 12.6 pt-20 -59.42 -17.31 29.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.831 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.63 -23.12 67.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.091 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -114.34 7.46 16.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.876 -175.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.489 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 7.2 m -54.88 -44.02 73.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 110.794 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.549 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 29.4 m -57.66 -42.26 83.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.874 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.7 m -56.54 -48.08 78.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.93 0.395 . . . . 0.0 110.712 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -63.74 -52.47 60.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.169 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' CD1' HD12 ' A' ' 5' ' ' LEU . 6.0 mp -55.38 -41.37 72.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.232 -178.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 19' ' ' SER . 89.2 mt -69.86 -26.62 64.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.856 0.36 . . . . 0.0 111.336 -178.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -100.6 12.34 37.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.968 0.413 . . . . 0.0 111.373 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.44 -8.95 58.86 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.111 171.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.491 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 87.1 m-85 -83.7 73.34 10.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.228 0.537 . . . . 0.0 109.757 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -104.61 -9.58 18.15 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.165 -176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.8 p -128.2 160.43 32.11 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.277 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' ' 8' ' ' LEU . 69.2 mt -69.01 -27.62 65.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.386 0.613 . . . . 0.0 109.686 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.496 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 44.3 mt-10 -68.52 -27.98 66.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.757 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -90.41 -38.34 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.094 0.474 . . . . 0.0 110.094 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.542 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 66.0 t80 -64.88 -26.93 68.54 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.054 -177.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 17.2 ptpt -67.73 -12.44 60.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.184 0.516 . . . . 0.0 110.965 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -96.79 -4.3 40.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.678 0.751 . . . . 0.0 109.427 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 40' ' ' LEU . 2.9 tm? -74.97 123.66 25.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.045 177.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -131.32 174.68 9.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.052 -175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.96 -45.76 91.62 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.1 m -59.42 -27.26 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.322 0.582 . . . . 0.0 110.323 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.725 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 13.3 m170 -76.64 -34.52 58.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.888 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 35' ' ' LEU . 6.7 mp -67.26 -31.88 72.52 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 176.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 88.8 m-20 -60.21 -33.17 71.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.303 0.573 . . . . 0.0 109.625 173.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -78.06 -38.2 44.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.435 177.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 60.7 mt -77.07 -3.11 37.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.354 -177.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.6 t30 71.28 14.56 6.51 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.623 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.452 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 61.2 mt -82.57 77.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.668 0.746 . . . . 0.0 109.226 177.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.401 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 3.8 mmt -84.18 -3.13 57.94 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.341 -177.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.571 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 62.4 m-20 -58.15 107.01 0.79 Allowed Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.882 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.65 -52.08 4.23 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.399 2.733 . . . . 0.0 114.077 -170.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.571 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.4 mt-30 -71.64 -34.24 69.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.033 0.444 . . . . 0.0 110.329 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 60.7 m170 -67.16 -39.5 86.49 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.822 178.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 32.0 mtp180 -54.69 -55.11 33.22 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.792 170.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.503 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.68 -44.29 63.06 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.459 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 30.4 mtpt -68.19 -53.93 21.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.147 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.2 mt -53.11 -45.8 68.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.102 0.477 . . . . 0.0 111.335 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.655 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -64.84 -46.25 82.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.733 -178.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.529 HG21 ' O ' ' B' ' 53' ' ' LYS . 81.2 m -59.9 -40.04 87.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.012 0.434 . . . . 0.0 110.889 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -58.88 -48.72 80.4 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.052 176.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.5 91.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.286 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 16.0 mm-40 -56.36 -54.9 40.12 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.26 0.552 . . . . 0.0 110.046 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' B' ' 57' ' ' ALA . 7.6 mp -67.39 -40.3 85.64 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.78 -178.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 8' ' ' LEU . 95.2 mt -64.28 -21.87 66.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.789 0.328 . . . . 0.0 111.725 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.584 HD23 ' NH2' ' B' ' 11' ' ' ARG . 34.4 tp -74.55 -26.92 60.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.949 0.404 . . . . 0.0 110.563 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -105.61 -45.31 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.859 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -93.04 47.91 1.3 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.034 -174.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -81.67 53.47 2.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.418 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.4 p 41.92 38.51 1.04 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.611 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.76 32.15 6.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.658 -175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 63.9 m 62.57 178.36 0.14 Allowed 'General case' 0 C--O 1.233 0.229 0 C-N-CA 122.705 0.402 . . . . 0.0 111.483 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.244 0.816 0 CA-C-O 118.533 -0.746 . . . . 0.0 109.909 177.008 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.961 -0.456 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -61.28 114.0 2.01 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.721 2.28 . . . . 0.0 112.114 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -87.39 -20.21 27.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.447 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.612 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 73.9 p -123.54 170.22 10.63 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.064 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.529 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.3 tm? -65.73 -42.98 90.38 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.74 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -53.6 -47.08 70.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.215 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.612 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 31.9 mm-40 -67.22 -31.78 72.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.503 -177.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.508 HD11 ' HB1' ' B' ' 57' ' ' ALA . 2.9 tm? -69.71 -43.27 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.156 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.535 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.1 mm? -63.01 -41.25 99.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.801 178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 42.1 mt-10 -67.5 -28.16 67.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.919 0.39 . . . . 0.0 110.368 176.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.584 ' NH2' HD23 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -67.18 -44.41 79.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.198 -178.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.493 ' CG2' HG23 ' A' ' 56' ' ' THR . 38.9 pt -93.0 -7.04 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.867 -176.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.69 28.24 24.65 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.944 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.535 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.5 mm? -119.25 28.35 8.28 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 120.815 0.34 . . . . 0.0 110.554 177.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.494 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.9 pt-20 -59.6 -16.98 29.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.79 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -65.07 -22.35 66.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.181 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -115.02 7.55 15.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.882 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 7.2 m -54.85 -43.92 73.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 110.764 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.538 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 24.1 m -58.18 -42.14 85.44 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.723 178.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -56.27 -48.26 76.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.0 110.685 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.492 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -63.68 -52.42 60.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.234 177.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.433 ' CD1' HD12 ' B' ' 5' ' ' LEU . 6.0 mp -55.51 -41.51 73.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.153 -178.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.7 mt -69.56 -26.81 64.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.402 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -100.33 11.97 38.21 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.114 0.483 . . . . 0.0 111.406 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.53 -8.6 58.53 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.02 171.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.492 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 87.2 m-85 -83.84 73.45 10.31 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.157 0.504 . . . . 0.0 109.76 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -104.85 -9.63 17.89 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.226 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 74.1 p -128.04 160.09 33.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.286 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' B' ' 8' ' ' LEU . 67.9 mt -68.66 -27.62 66.15 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.368 0.604 . . . . 0.0 109.824 176.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.484 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 44.1 mt-10 -68.45 -28.15 66.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.883 178.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -90.02 -38.27 13.72 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.168 0.509 . . . . 0.0 110.055 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.538 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 66.0 t80 -65.11 -27.02 68.46 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.928 -177.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 17.2 ptpt -67.72 -12.73 61.16 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.879 -0.513 . . . . 0.0 110.957 177.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -96.44 -4.24 42.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.582 0.706 . . . . 0.0 109.419 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.581 HD11 HD11 ' B' ' 40' ' ' LEU . 2.9 tm? -75.08 123.76 25.79 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.073 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt85 -131.3 174.82 9.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.958 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -60.06 -45.72 91.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.756 0.312 . . . . 0.0 111.134 -177.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 26.3 m -59.4 -27.43 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.332 0.587 . . . . 0.0 110.288 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.731 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 13.3 m170 -76.52 -34.47 58.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.83 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.581 HD11 HD11 ' B' ' 35' ' ' LEU . 6.7 mp -67.32 -31.98 72.63 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.777 176.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . 0.521 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 88.7 m-20 -60.03 -33.6 72.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.391 0.615 . . . . 0.0 109.63 173.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.52 -38.47 48.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.481 177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 61.3 mt -76.81 -3.53 38.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.378 -177.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 9.4 t30 71.83 14.3 5.98 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.54 0.686 . . . . 0.0 110.465 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.472 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 61.1 mt -82.31 77.71 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.675 0.75 . . . . 0.0 109.205 177.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.521 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 4.0 mmt -84.24 -3.1 57.98 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.276 -177.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.551 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 62.8 m-20 -58.4 106.81 0.76 Allowed Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.809 175.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.63 -51.82 4.58 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.418 2.746 . . . . 0.0 114.139 -170.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.577 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 52.6 mt-30 -71.79 -34.26 69.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.079 0.466 . . . . 0.0 110.238 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.551 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 60.4 m170 -67.1 -39.66 86.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.737 178.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.552 ' O ' HD22 ' B' ' 55' ' ' LEU . 32.5 mtp180 -54.47 -55.2 31.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.73 170.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.508 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.72 -44.38 63.21 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.424 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 30.4 mtpt -68.12 -53.81 22.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.216 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 77.9 mt -53.23 -45.85 68.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.066 0.46 . . . . 0.0 111.242 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.658 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -64.77 -46.35 82.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.702 -178.665 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 53' ' ' LYS . 82.9 m -59.83 -39.93 86.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.042 0.449 . . . . 0.0 110.855 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.623 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.1 -48.43 81.64 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.053 176.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.58 92.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.277 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 16.2 mm-40 -56.25 -54.95 39.3 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.407 0.622 . . . . 0.0 110.126 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 57' ' ' ALA . 7.6 mp -67.46 -40.13 85.35 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.783 -178.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.46 HD11 ' HG ' ' B' ' 8' ' ' LEU . 94.8 mt -64.42 -21.76 66.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.865 0.364 . . . . 0.0 111.717 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.551 HD23 ' NH2' ' A' ' 11' ' ' ARG . 34.2 tp -74.4 -27.33 60.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.043 0.449 . . . . 0.0 110.486 178.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -105.28 -45.23 4.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.934 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -93.14 48.12 1.31 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.072 -174.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -81.79 52.57 1.95 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.169 0.509 . . . . 0.0 110.474 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 p 42.62 38.42 1.28 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.663 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.61 32.01 6.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.679 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 63.2 m 62.77 178.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.716 0.407 . . . . 0.0 111.514 179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.906 176.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 111.991 -0.443 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.07 123.74 9.5 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 122.869 2.38 . . . . 0.0 112.426 -178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -101.36 -14.78 17.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.067 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.477 ' OG1' ' HG2' ' A' ' 7' ' ' GLU . 24.3 p -131.37 173.8 10.71 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.524 -178.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.3 tm? -63.42 -51.47 65.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.961 -174.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -53.15 -42.08 65.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.405 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.477 ' HG2' ' OG1' ' A' ' 4' ' ' THR . 28.4 mm-40 -68.9 -33.38 73.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.38 -176.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.442 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.9 tm? -69.49 -41.12 76.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.806 179.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.9 mm? -62.37 -40.95 98.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.834 177.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HG2' ' HB3' ' A' ' 15' ' ' GLU . 46.9 mt-10 -66.92 -33.47 75.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.086 0.469 . . . . 0.0 110.406 176.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.552 HH22 HD23 ' B' ' 62' ' ' LEU . 0.1 OUTLIER -62.2 -43.84 97.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.388 -179.028 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.512 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.6 pt -92.35 -12.48 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.786 -177.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.16 33.08 9.06 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.944 174.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.2 mm? -124.97 30.63 5.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.72 0.295 . . . . 0.0 110.599 177.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 10.6 pt-20 -59.55 -19.8 51.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.676 178.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.62 -21.38 62.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.299 175.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -117.07 9.8 13.73 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.86 -175.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.404 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 9.4 m -57.07 -48.39 78.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.758 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 19.0 m -60.67 -35.26 75.81 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.278 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 m -58.85 -49.18 78.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.923 0.392 . . . . 0.0 110.116 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -60.0 -52.46 65.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.072 176.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' CD1' HD12 ' A' ' 5' ' ' LEU . 7.2 mp -54.64 -42.68 71.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.517 . . . . 0.0 112.058 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.8 mt -68.5 -25.88 65.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.948 0.404 . . . . 0.0 111.338 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.5 ' ND2' ' HG ' ' A' ' 43' ' ' LEU . 31.5 m-80 -99.72 12.36 36.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.238 0.542 . . . . 0.0 111.257 -178.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.5 -10.94 59.62 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.781 171.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 94.1 m-85 -83.85 72.86 10.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.191 0.519 . . . . 0.0 110.15 -178.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -101.92 -6.45 23.48 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.119 -177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -131.77 160.46 35.49 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.165 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.18 -27.1 65.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.432 0.634 . . . . 0.0 109.301 174.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 25.7 tp10 -66.77 -31.54 72.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.692 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -87.03 -40.24 14.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.14 0.495 . . . . 0.0 109.806 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.433 ' CD1' HD21 ' A' ' 5' ' ' LEU . 55.5 t80 -63.4 -27.97 69.67 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.975 -177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 16.7 ptpt -66.95 -4.66 10.1 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.029 -0.419 . . . . 0.0 111.452 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -105.49 5.07 31.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.236 0.541 . . . . 0.0 110.285 176.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 3.4 tm? -72.11 126.04 28.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.492 -177.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.493 ' HD3' ' O ' ' A' ' 35' ' ' LEU . 20.6 mmt180 -128.26 169.71 13.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.424 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HB2' HD21 ' A' ' 55' ' ' LEU . 43.9 tt0 -60.96 -46.79 89.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.827 0.346 . . . . 0.0 110.777 -178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 12.0 m -57.15 -25.26 58.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.802 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -76.42 -42.66 43.4 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.367 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.566 ' HG ' ' HB ' ' A' ' 45' ' ' ILE . 2.1 mp -61.33 -30.35 70.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.037 177.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.5 m-20 -55.23 -38.48 68.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.003 171.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.59 -35.83 39.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.661 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.5 ' HG ' ' ND2' ' A' ' 24' ' ' ASN . 11.0 mp -76.54 -2.21 31.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.524 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.39 18.81 5.45 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.833 0.825 . . . . 0.0 110.072 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.566 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 57.7 mt -91.75 77.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.401 0.62 . . . . 0.0 109.422 177.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.4 ' HA ' ' CE ' ' A' ' 46' ' ' MET . 2.0 mmt -82.7 -10.65 58.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.399 -177.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.618 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 54.6 m-20 -51.71 105.95 0.59 Allowed Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.349 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.65 -49.25 10.68 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.578 2.852 . . . . 0.0 114.009 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.533 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.9 mt-30 -70.14 -36.92 75.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.128 0.49 . . . . 0.0 110.204 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.618 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 23.2 m170 -67.26 -40.01 86.15 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.481 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.476 ' HA ' HD23 ' A' ' 40' ' ' LEU . 42.5 mtp180 -55.49 -52.58 63.19 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.027 171.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.521 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.01 -42.5 65.69 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.131 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' O ' HG21 ' B' ' 56' ' ' THR . 27.9 mtpt -68.71 -53.81 19.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.175 178.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.7 mt -54.99 -42.77 72.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.29 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.583 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -63.28 -48.27 78.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.477 179.316 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.539 HG21 ' O ' ' B' ' 53' ' ' LYS . 54.9 m -61.26 -40.94 95.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.021 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.646 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -58.97 -48.03 83.0 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.889 176.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.32 97.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.475 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 39.9 mm-40 -56.31 -55.36 34.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.313 0.578 . . . . 0.0 110.289 177.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.7 mp -66.05 -45.74 80.29 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.547 -178.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.439 HD11 ' HG ' ' A' ' 8' ' ' LEU . 83.7 mt -59.69 -20.75 58.35 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD23 HH22 ' B' ' 11' ' ' ARG . 31.7 tp -74.98 -27.45 60.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.014 0.435 . . . . 0.0 110.795 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -110.02 -33.53 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.833 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.598 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 98.3 m-85 -106.24 41.83 1.36 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.221 -173.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.96 39.52 0.5 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.969 0.414 . . . . 0.0 111.475 -178.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.4 p 47.98 35.63 5.27 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.565 0.746 . . . . 0.0 112.324 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.3 28.91 9.63 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.076 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.8 m 66.85 159.28 0.14 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.246 0.618 . . . . 0.0 111.484 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.49 177.739 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -71.96 123.55 9.39 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.841 2.361 . . . . 0.0 112.457 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -101.2 -14.72 17.59 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.056 175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.465 ' OG1' ' HG2' ' B' ' 7' ' ' GLU . 24.0 p -131.54 173.59 10.96 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.515 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.486 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -63.28 -51.67 65.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.87 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -53.01 -41.95 65.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.487 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.465 ' HG2' ' OG1' ' B' ' 4' ' ' THR . 28.6 mm-40 -69.09 -33.25 73.23 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.49 -176.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.454 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -69.44 -41.19 76.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.778 179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 14' ' ' LEU . 3.9 mm? -62.37 -40.69 97.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.848 178.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.408 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 46.8 mt-10 -67.26 -33.2 74.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.895 0.379 . . . . 0.0 110.375 176.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.498 HH22 HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -62.3 -44.12 97.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.326 -179.231 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.517 ' CG2' HG23 ' A' ' 56' ' ' THR . 39.8 pt -92.15 -12.42 9.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.614 -176.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.88 33.29 9.13 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.936 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.524 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.2 mm? -124.86 30.25 5.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.774 0.321 . . . . 0.0 110.661 177.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.413 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 10.8 pt-20 -59.11 -19.99 49.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.739 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -60.19 -21.97 62.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.37 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -116.74 9.67 14.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.95 -175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 9.4 m -57.04 -48.27 78.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.03 0.443 . . . . 0.0 110.774 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 17.4 m -60.61 -35.47 76.23 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.245 177.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -58.79 -49.14 78.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 0.0 110.111 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -60.06 -52.46 65.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.055 176.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -54.6 -42.73 71.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.032 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' B' ' 19' ' ' SER . 92.0 mt -68.62 -25.79 65.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.997 0.427 . . . . 0.0 111.269 -179.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.508 ' ND2' ' HG ' ' B' ' 43' ' ' LEU . 33.0 m-80 -99.74 12.7 35.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.236 0.541 . . . . 0.0 111.102 -178.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.07 -10.77 60.29 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.834 171.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.497 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 94.0 m-85 -83.92 72.9 10.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.194 0.521 . . . . 0.0 110.206 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -102.11 -6.07 23.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.033 -177.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 69.9 p -131.98 160.43 35.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.108 -178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 90.2 mt -69.13 -27.29 65.44 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 26.5 tp10 -66.87 -31.3 71.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.586 177.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.98 -40.65 14.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.124 0.488 . . . . 0.0 109.846 177.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.437 ' CD1' HD21 ' B' ' 5' ' ' LEU . 55.3 t80 -63.11 -28.08 69.83 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.006 -177.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 16.7 ptpt -66.75 -4.63 9.5 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.022 -0.424 . . . . 0.0 111.465 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -105.48 4.99 31.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.2 0.524 . . . . 0.0 110.286 176.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.486 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 3.4 tm? -72.16 125.9 28.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.402 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' B' ' 35' ' ' LEU . 20.5 mmt180 -128.17 170.05 13.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 -178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.562 ' HB2' HD21 ' B' ' 55' ' ' LEU . 43.3 tt0 -61.43 -46.54 89.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.6 m -57.58 -25.03 59.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.725 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -76.32 -42.79 43.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.432 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.572 ' HG ' ' HB ' ' B' ' 45' ' ' ILE . 2.1 mp -61.21 -30.38 70.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.124 177.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.34 -38.27 68.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.013 171.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -79.99 -35.03 38.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.508 ' HG ' ' ND2' ' B' ' 24' ' ' ASN . 10.9 mp -77.17 -2.16 33.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.434 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.21 18.76 5.64 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.749 0.785 . . . . 0.0 110.233 178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.572 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 57.5 mt -91.62 77.49 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.452 177.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' B' ' 46' ' ' MET . 2.0 mmt -83.03 -10.79 58.57 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.236 -177.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 52.0 m-20 -51.33 105.9 0.58 Allowed Pre-proline 0 C--O 1.224 -0.246 0 O-C-N 124.222 0.951 . . . . 0.0 110.355 178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 33.6 Cg_exo -59.52 -49.46 10.4 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.468 2.778 . . . . 0.0 114.088 -171.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.532 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 54.1 mt-30 -69.96 -36.84 75.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.07 0.462 . . . . 0.0 110.283 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.644 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 22.7 m170 -67.26 -40.05 86.17 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.49 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.491 ' HA ' HD23 ' B' ' 40' ' ' LEU . 42.3 mtp180 -55.51 -52.31 64.1 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.109 171.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.504 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -53.31 -42.58 66.81 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.159 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 56' ' ' THR . 28.1 mtpt -68.59 -53.73 20.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.128 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -55.04 -42.76 73.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.28 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.1 OUTLIER -63.4 -48.13 79.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.465 179.303 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.565 HG21 ' O ' ' A' ' 53' ' ' LYS . 55.2 m -61.27 -41.05 96.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.985 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -58.84 -48.03 82.78 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.893 176.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.41 -40.21 96.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.346 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 39.3 mm-40 -56.41 -55.12 37.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.184 0.516 . . . . 0.0 110.346 177.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.7 mp -66.31 -45.62 79.71 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.587 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.454 HD11 ' HG ' ' B' ' 8' ' ' LEU . 84.7 mt -59.74 -20.58 57.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -177.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.552 HD23 HH22 ' A' ' 11' ' ' ARG . 31.7 tp -75.26 -27.25 59.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.773 0.32 . . . . 0.0 110.789 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -110.25 -33.66 6.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.13 0.49 . . . . 0.0 111.73 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.598 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 98.3 m-85 -105.91 41.65 1.37 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.287 -173.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -80.76 39.38 0.48 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.903 0.382 . . . . 0.0 111.504 -178.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.4 p 48.01 35.7 5.42 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 123.517 0.727 . . . . 0.0 112.355 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -94.45 29.18 9.29 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.85 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 63.3 m 66.47 159.04 0.13 Allowed 'General case' 0 C--O 1.235 0.306 0 C-N-CA 123.191 0.597 . . . . 0.0 111.521 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--O 1.248 0.988 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.337 177.602 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.827 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.432 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 22.2 Cg_exo -65.17 119.76 6.85 Favored 'Trans proline' 0 CA--C 1.516 -0.4 0 C-N-CA 122.921 2.414 . . . . 0.0 113.161 -174.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -99.8 -15.37 18.46 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.654 174.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.8 p -127.11 170.21 12.6 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.73 -177.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.3 tm? -61.18 -53.44 56.9 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.611 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.442 ' CD2' HG21 ' A' ' 18' ' ' THR . 18.2 t-160 -56.36 -42.03 77.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -58.94 -42.46 89.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.798 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' A' ' 57' ' ' ALA . 2.8 tm? -67.61 -43.07 81.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.347 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.1 mm? -60.35 -41.46 93.69 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.98 -30.07 68.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -48.57 72.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.861 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' CG2' HG23 ' B' ' 56' ' ' THR . 36.8 pt -86.04 -15.39 10.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.653 -176.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.21 34.13 7.3 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.787 174.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.2 mm? -123.22 32.38 5.69 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.955 0.407 . . . . 0.0 110.508 176.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 10.9 pt-20 -60.05 -18.86 49.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.752 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.0 -23.5 65.45 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.986 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -114.05 9.05 17.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.941 -176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.476 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 12.9 m -56.31 -47.7 78.18 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 14.0 t -61.87 -35.35 78.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.175 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -57.17 -54.52 45.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.947 0.403 . . . . 0.0 110.269 177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.5 mm? -61.93 -50.91 70.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.142 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.2 -45.48 72.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.182 -0.917 . . . . 0.0 112.067 -175.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 19' ' ' SER . 68.6 mt -74.63 -28.82 61.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.446 -176.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -92.37 10.31 30.41 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.009 0.433 . . . . 0.0 111.547 -175.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.41 -12.37 47.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.051 171.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 96.4 m-85 -83.27 69.92 10.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.357 0.598 . . . . 0.0 109.479 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -98.44 -10.56 23.46 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.653 -174.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.8 p -130.46 159.18 37.82 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.338 -177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.75 -27.3 68.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.461 0.648 . . . . 0.0 109.361 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.29 -33.5 76.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.826 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.7 -36.03 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.196 0.522 . . . . 0.0 109.932 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.471 ' O ' ' HB3' ' A' ' 35' ' ' LEU . 57.0 t80 -64.91 -28.5 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.729 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.22 -8.99 50.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.902 -0.499 . . . . 0.0 110.831 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -101.34 -1.26 33.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.498 0.666 . . . . 0.0 109.639 175.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 40' ' ' LEU . 2.0 tm? -73.74 115.53 13.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.028 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.454 HH22 HD22 ' A' ' 62' ' ' LEU . 30.3 mmt180 -122.69 162.12 22.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.256 -172.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.8 tt0 -53.97 -44.81 71.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.908 0.385 . . . . 0.0 111.577 -173.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 21.0 m -62.14 -26.22 68.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.291 0.567 . . . . 0.0 110.472 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.752 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 51.1 m170 -75.78 -36.8 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 177.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.634 HD11 HD11 ' A' ' 35' ' ' LEU . 8.5 mp -61.88 -37.11 83.34 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.857 0.361 . . . . 0.0 110.1 174.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 38' ' ' THR . 6.8 m-20 -55.59 -40.89 72.61 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.958 172.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 38' ' ' THR . 39.3 mt-10 -70.87 -37.73 73.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.755 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.752 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 49.6 mt -80.21 -2.0 43.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.298 -177.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 t30 65.57 26.1 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.48 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -85.4 77.97 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 175.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.436 ' O ' ' HD3' ' A' ' 48' ' ' PRO . 5.0 mmt -95.37 28.53 2.86 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.44 -174.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 42.0 m-20 -92.7 98.8 2.4 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.283 175.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 72.3 Cg_exo -50.03 -54.97 4.58 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 123.386 2.724 . . . . 0.0 114.543 -167.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 48.4 mt-30 -68.31 -37.42 80.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.26 0.552 . . . . 0.0 110.389 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.545 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 25.6 m170 -66.26 -38.12 87.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.618 -179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.51 ' O ' HD22 ' A' ' 55' ' ' LEU . 48.7 mtp180 -55.02 -57.71 10.59 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.828 170.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.605 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -52.15 -40.75 61.84 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.473 -176.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.61 ' CG ' ' HB1' ' B' ' 52' ' ' ALA . 32.8 mtpt -64.83 -51.83 59.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.811 176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 93.0 mt -54.19 -46.12 72.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.603 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.588 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.4 OUTLIER -65.69 -41.24 92.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.26 -179.542 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.572 HG21 ' O ' ' B' ' 53' ' ' LYS . 42.1 m -63.16 -39.37 94.46 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.153 0.502 . . . . 0.0 110.561 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.26 -47.75 84.67 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.938 175.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.09 -38.28 79.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.173 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 6.2 mm-40 -60.51 -54.53 44.41 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.084 178.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD22 ' HA ' ' B' ' 57' ' ' ALA . 9.7 mp -71.67 -29.61 64.79 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.781 -177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.504 HD11 ' HG ' ' A' ' 8' ' ' LEU . 87.6 mt -69.44 -24.23 63.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.255 0.55 . . . . 0.0 110.49 175.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.454 HD22 HH22 ' A' ' 36' ' ' ARG . 52.2 tp -74.31 -43.67 55.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.587 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -91.14 -41.81 10.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.425 ' OH ' ' HB2' ' B' ' 2' ' ' PRO . 97.1 m-85 -97.18 49.52 1.06 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.982 0.42 . . . . 0.0 110.765 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -80.16 51.55 1.4 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.5 0.667 . . . . 0.0 110.423 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' B' ' 68' ' ' CYS . 25.8 p 44.86 39.96 3.98 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 114.986 -1.007 . . . . 0.0 113.03 177.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.17 37.57 3.2 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.788 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.421 ' O ' ' HB ' ' B' ' 66' ' ' THR . 98.4 m 61.29 171.3 0.11 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 122.946 0.498 . . . . 0.0 111.849 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 C--O 1.252 1.202 0 CA-C-O 118.668 -0.682 . . . . 0.0 110.641 -178.122 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.425 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 22.1 Cg_exo -65.28 119.5 6.53 Favored 'Trans proline' 0 CA--C 1.516 -0.396 0 C-N-CA 123.013 2.476 . . . . 0.0 113.152 -174.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -99.5 -15.72 18.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.662 174.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 44.3 p -126.95 170.26 12.45 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.802 -176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.494 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -61.33 -53.34 57.98 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.588 -177.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.446 ' CD2' HG21 ' B' ' 18' ' ' THR . 18.2 t-160 -56.38 -42.02 77.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -178.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -59.04 -42.38 90.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.722 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' B' ' 57' ' ' ALA . 2.8 tm? -67.48 -43.16 81.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.393 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.518 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.1 mm? -60.35 -41.62 94.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.737 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.401 ' HG2' ' HB3' ' B' ' 15' ' ' GLU . 47.3 mt-10 -68.85 -30.3 68.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.891 0.377 . . . . 0.0 110.779 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -48.77 72.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.864 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' A' ' 56' ' ' THR . 36.7 pt -85.74 -15.75 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.743 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.54 34.08 7.19 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.892 174.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.518 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.2 mm? -123.15 32.41 5.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.955 0.407 . . . . 0.0 110.507 176.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.481 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 11.1 pt-20 -60.08 -18.51 47.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.728 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -61.19 -23.45 65.6 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.054 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -114.24 9.05 16.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.875 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.481 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 12.0 m -56.27 -47.44 78.58 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.743 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.557 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 13.1 t -62.15 -35.02 77.49 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.211 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 25.1 m -57.71 -54.25 48.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.036 0.446 . . . . 0.0 110.272 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.5 mm? -61.76 -51.15 69.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.055 177.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.31 -45.09 72.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.095 -175.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' B' ' 19' ' ' SER . 68.1 mt -74.99 -28.61 60.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.03 0.443 . . . . 0.0 111.531 -176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -92.87 11.38 27.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.633 -175.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.95 -13.09 49.59 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.999 171.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.507 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 96.4 m-85 -82.99 69.8 9.87 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.389 0.614 . . . . 0.0 109.586 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -98.31 -10.36 24.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.71 -174.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 74.5 p -130.48 159.21 37.75 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.369 -177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.83 -27.05 67.96 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.438 0.637 . . . . 0.0 109.335 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.27 -34.2 77.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.563 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.28 -35.92 16.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.218 0.533 . . . . 0.0 109.888 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.477 ' O ' ' HB3' ' B' ' 35' ' ' LEU . 56.8 t80 -64.88 -28.41 69.52 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.797 -178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -69.22 -9.16 51.72 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.898 -0.501 . . . . 0.0 110.844 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -101.09 -1.61 33.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.549 0.69 . . . . 0.0 109.675 175.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.642 HD11 HD11 ' B' ' 40' ' ' LEU . 2.0 tm? -73.4 115.44 12.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.185 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.454 HH22 HD22 ' B' ' 62' ' ' LEU . 30.2 mmt180 -122.52 162.36 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.407 -172.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.415 ' N ' HD11 ' B' ' 55' ' ' LEU . 45.2 tt0 -54.19 -44.64 71.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.836 0.35 . . . . 0.0 111.62 -173.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' B' ' 41' ' ' ASN . 20.5 m -62.31 -26.25 68.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.319 0.581 . . . . 0.0 110.533 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.776 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 51.0 m170 -75.87 -36.41 59.57 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.642 HD11 HD11 ' B' ' 35' ' ' LEU . 8.6 mp -62.06 -37.01 83.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 120.862 0.363 . . . . 0.0 110.093 174.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' B' ' 38' ' ' THR . 7.0 m-20 -55.45 -41.31 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.006 172.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 38' ' ' THR . 39.1 mt-10 -70.64 -37.62 73.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.744 178.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 48.4 mt -80.16 -2.11 43.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.359 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 5.0 t30 65.4 26.74 11.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.726 0.774 . . . . 0.0 110.456 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 70.4 mt -86.1 77.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.444 ' O ' ' HD3' ' B' ' 48' ' ' PRO . 4.9 mmt -95.33 28.44 2.89 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.439 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.574 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 40.0 m-20 -92.39 98.69 2.23 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.28 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.468 ' O ' ' HB2' ' B' ' 51' ' ' ARG . 73.4 Cg_exo -50.0 -55.0 4.55 Favored 'Trans proline' 0 N--CA 1.474 0.348 0 C-N-CA 123.474 2.783 . . . . 0.0 114.428 -167.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 48.1 mt-30 -68.38 -37.42 80.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.196 0.522 . . . . 0.0 110.378 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.574 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 25.4 m170 -66.29 -38.16 87.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.643 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.527 ' O ' HD22 ' B' ' 55' ' ' LEU . 48.5 mtp180 -54.86 -57.88 9.84 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.801 170.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.61 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -52.15 -40.64 61.68 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.461 -176.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.605 ' CG ' ' HB1' ' A' ' 52' ' ' ALA . 32.8 mtpt -64.9 -51.93 59.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.82 176.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 92.7 mt -54.11 -46.06 72.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.597 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.596 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.4 OUTLIER -65.7 -41.3 92.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.346 -179.611 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.559 HG21 ' O ' ' A' ' 53' ' ' LYS . 44.3 m -63.06 -39.29 94.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.511 . . . . 0.0 110.54 179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.34 -47.74 84.74 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.941 175.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.23 79.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.124 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 6.0 mm-40 -60.66 -54.55 43.97 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.078 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.601 HD22 ' HA ' ' A' ' 57' ' ' ALA . 9.7 mp -71.49 -29.69 65.1 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.813 -177.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.518 HD11 ' HG ' ' B' ' 8' ' ' LEU . 86.8 mt -69.49 -24.23 63.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.147 0.499 . . . . 0.0 110.443 175.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.454 HD22 HH22 ' B' ' 36' ' ' ARG . 52.0 tp -74.29 -43.65 55.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.566 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -91.44 -41.33 10.92 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.432 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 97.2 m-85 -97.28 49.26 1.05 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.976 0.417 . . . . 0.0 110.811 -175.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.82 51.52 1.33 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.465 0.65 . . . . 0.0 110.415 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 68' ' ' CYS . 23.4 p 45.0 39.97 4.12 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.103 -0.953 . . . . 0.0 112.922 177.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -87.5 37.81 3.2 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.772 -176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.422 ' O ' ' HB ' ' A' ' 66' ' ' THR . 98.5 m 61.48 171.24 0.11 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 111.979 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.556 -178.339 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.484 ' HA3' ' OD1' ' B' ' 63' ' ' ASP . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.485 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 19.5 Cg_exo -65.26 121.38 8.82 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.633 2.222 . . . . 0.0 112.062 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -106.33 -12.13 15.78 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -121.51 164.92 16.42 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.594 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.521 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.2 tm? -58.62 -53.53 57.34 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.94 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.513 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 11.9 t-160 -55.34 -43.53 75.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.491 -177.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.26 -41.45 88.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.156 0.503 . . . . 0.0 110.902 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD21 HD11 ' B' ' 60' ' ' LEU . 2.6 tm? -67.68 -43.97 78.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.016 -178.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.521 HD23 ' O ' ' A' ' 5' ' ' LEU . 4.0 mm? -59.65 -40.35 87.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.575 177.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 49.8 mt-10 -63.26 -37.52 87.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.081 178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -70.33 -43.95 69.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.135 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG2' HG23 ' B' ' 56' ' ' THR . 43.2 pt -81.72 -13.91 12.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.104 -177.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.2 25.87 13.42 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.54 -0.838 . . . . 0.0 113.1 173.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.4 mm? -121.81 29.91 6.91 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.757 0.313 . . . . 0.0 110.755 178.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 9.7 pt-20 -60.0 -21.5 61.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.678 177.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.81 -23.05 67.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.127 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -109.17 3.82 22.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.721 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.421 HG21 ' CD2' ' A' ' 6' ' ' HIS . 24.7 m -52.78 -47.89 67.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.907 0.384 . . . . 0.0 111.091 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.573 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 9.5 m -60.07 -39.94 87.8 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.628 -179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 32.7 m -56.38 -49.53 74.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.992 0.425 . . . . 0.0 110.552 177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.1 mm? -61.69 -54.19 46.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.986 176.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 27' ' ' GLN . 20.7 tp -51.06 -49.49 60.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.749 -177.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 19' ' ' SER . 97.5 mt -65.16 -35.14 80.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.348 -177.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -91.22 14.46 14.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.107 0.479 . . . . 0.0 111.588 -175.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -7.73 50.59 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.112 170.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 94.5 m-85 -87.44 75.6 9.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.534 0.683 . . . . 0.0 109.615 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.467 ' HA ' HD12 ' A' ' 22' ' ' LEU . 40.8 mt-30 -97.94 -18.55 18.59 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.671 -173.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.5 p -129.14 168.93 15.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.728 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.2 mt -67.16 -25.07 65.98 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.401 0.62 . . . . 0.0 109.603 174.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 43.2 mt-10 -71.3 -25.22 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.542 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' CB ' ' HA ' ' A' ' 26' ' ' TYR . 47.8 m-20 -83.42 -46.27 12.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.36 0.6 . . . . 0.0 109.638 173.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -64.17 -25.31 68.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.986 -173.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 61' ' ' LEU . 18.4 ptpt -66.86 -9.83 41.81 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.027 -0.421 . . . . 0.0 111.691 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -108.64 8.02 26.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.346 0.593 . . . . 0.0 110.269 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.577 HD11 HD11 ' A' ' 40' ' ' LEU . 3.2 tm? -71.22 125.88 28.12 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.697 179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.486 ' C ' HD11 ' A' ' 55' ' ' LEU . 35.6 mmt180 -124.59 165.76 17.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -177.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.527 ' N ' HD11 ' A' ' 55' ' ' LEU . 44.4 tt0 -64.8 -37.49 87.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.953 0.406 . . . . 0.0 110.153 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.0 m -58.17 -31.09 66.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.948 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.777 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 25.5 m170 -75.96 -35.8 59.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.185 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.597 HD12 HD12 ' A' ' 43' ' ' LEU . 4.5 mp -64.09 -32.91 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.816 176.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -57.81 -41.98 83.31 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 172.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -71.72 -35.56 70.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.71 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.777 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 47.3 mt -79.78 -2.05 41.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.044 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.5 t30 67.64 21.25 9.42 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.609 179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.447 ' HB ' ' HG ' ' A' ' 40' ' ' LEU . 60.6 mt -87.82 75.85 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.577 0.704 . . . . 0.0 109.203 177.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.8 mmt -82.31 -9.13 59.59 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.793 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.588 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 39.1 m-20 -50.58 105.63 0.54 Allowed Pre-proline 0 C--O 1.223 -0.295 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.353 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 32.7 Cg_exo -60.96 -50.67 5.84 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 123.26 2.64 . . . . 0.0 114.097 -171.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 53.2 mt-30 -71.25 -36.13 71.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.182 0.515 . . . . 0.0 110.052 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 59.1 m170 -66.19 -41.53 90.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.798 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HG2' HD23 ' A' ' 40' ' ' LEU . 51.1 mtp180 -53.61 -54.79 32.55 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.695 170.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -51.13 -43.23 61.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.399 -177.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 26.4 mtpt -68.54 -50.74 49.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.93 178.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 50' ' ' HIS . 91.6 mt -54.83 -46.04 74.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.841 -177.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.527 HD11 ' N ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -67.09 -35.68 80.32 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.451 -179.018 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.527 HG21 ' O ' ' B' ' 53' ' ' LYS . 36.0 m -67.88 -41.01 83.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.164 0.506 . . . . 0.0 110.138 178.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.593 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -61.09 -45.78 93.3 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.048 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.48 -42.72 92.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.981 177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -57.28 -55.29 36.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.29 178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' B' ' 57' ' ' ALA . 11.3 mp -72.61 -26.88 61.85 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.742 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' O ' ' HB3' ' A' ' 65' ' ' ASP . 72.0 mt -73.94 -24.02 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 121.805 -0.559 . . . . 0.0 110.824 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 33' ' ' LYS . 45.7 tp -76.14 -33.69 59.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.788 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.465 ' OD1' ' HA3' ' B' ' 1' ' ' GLY . 35.1 t70 -103.72 -44.16 5.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.092 0.472 . . . . 0.0 112.019 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.689 ' HB3' ' O ' ' B' ' 64' ' ' TYR . 86.6 m-85 -98.04 41.44 1.13 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.06 -173.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.498 ' HB3' ' O ' ' A' ' 61' ' ' LEU . 15.8 p-10 -78.45 44.09 0.5 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.253 0.549 . . . . 0.0 111.385 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.1 p 48.64 33.25 4.03 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.274 -0.876 . . . . 0.0 112.579 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.21 36.34 3.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.066 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 81.3 m 61.6 176.81 0.12 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.078 0.466 . . . . 0.0 111.545 -177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.604 -0.713 . . . . 0.0 110.147 178.847 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.465 ' HA3' ' OD1' ' A' ' 63' ' ' ASP . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.926 -0.47 . . . . 0.0 111.926 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.497 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 19.8 Cg_exo -65.2 121.2 8.59 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.566 2.177 . . . . 0.0 112.146 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -106.05 -12.05 15.92 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 175.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 39.7 p -121.58 164.95 16.42 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.6 -178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.51 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.2 tm? -58.77 -53.48 57.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.858 -176.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.52 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 11.8 t-160 -55.14 -43.57 74.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.607 -177.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -59.58 -40.85 88.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.08 0.467 . . . . 0.0 110.957 -178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.45 HD21 HD11 ' A' ' 60' ' ' LEU . 2.6 tm? -68.11 -43.91 77.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.932 -178.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.51 HD23 ' O ' ' B' ' 5' ' ' LEU . 4.0 mm? -59.75 -40.41 88.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.611 177.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 49.7 mt-10 -63.39 -37.36 86.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.009 178.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -70.32 -44.26 68.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.018 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 56' ' ' THR . 43.0 pt -81.53 -13.73 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.152 -177.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.91 25.97 13.69 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.669 -0.777 . . . . 0.0 113.105 173.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.428 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.4 mm? -121.71 29.71 7.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.714 0.293 . . . . 0.0 110.775 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.43 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 9.9 pt-20 -59.97 -21.26 61.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.748 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.99 -23.02 67.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.15 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -109.14 3.9 22.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.626 -177.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.43 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 24.9 m -53.02 -47.59 68.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.809 0.338 . . . . 0.0 111.042 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 10.8 m -60.54 -39.88 89.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.555 -179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 35.7 m -56.19 -49.61 73.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.597 177.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.1 mm? -61.66 -54.06 47.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.999 176.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' B' ' 27' ' ' GLN . 21.1 tp -51.15 -49.34 61.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.74 -177.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' B' ' 19' ' ' SER . 98.2 mt -65.33 -35.27 80.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.381 -177.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -91.04 14.46 13.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.633 -175.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.83 -7.84 49.79 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.619 -0.801 . . . . 0.0 113.024 170.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 94.7 m-85 -87.35 75.68 9.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.594 0.712 . . . . 0.0 109.609 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' B' ' 22' ' ' LEU . 41.0 mt-30 -97.88 -18.85 18.46 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.536 -173.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 62.3 p -128.91 169.17 14.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.65 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.27 -25.05 65.87 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.404 0.621 . . . . 0.0 109.614 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.447 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 43.4 mt-10 -71.38 -24.94 62.17 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.527 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.463 ' CB ' ' HA ' ' B' ' 26' ' ' TYR . 50.1 m-20 -83.62 -46.32 12.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.31 0.576 . . . . 0.0 109.582 173.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -64.11 -25.23 68.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.177 -0.92 . . . . 0.0 112.078 -173.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' B' ' 61' ' ' LEU . 18.4 ptpt -67.02 -9.67 41.51 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.07 -0.394 . . . . 0.0 111.666 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -108.81 8.27 26.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.462 0.649 . . . . 0.0 110.278 176.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.551 HD11 HD11 ' B' ' 40' ' ' LEU . 3.2 tm? -71.3 126.05 28.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.344 -0.843 . . . . 0.0 109.616 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.488 ' C ' HD11 ' B' ' 55' ' ' LEU . 35.6 mmt180 -124.73 165.73 17.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.998 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.517 ' N ' HD11 ' B' ' 55' ' ' LEU . 44.2 tt0 -65.08 -37.3 87.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.997 0.427 . . . . 0.0 110.065 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 14.5 m -58.05 -31.25 66.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.986 175.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.754 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 26.5 m170 -75.97 -35.91 59.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.126 -179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.581 HD12 HD12 ' B' ' 43' ' ' LEU . 4.4 mp -63.93 -32.92 74.62 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.779 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -58.01 -41.73 83.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 172.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.01 -35.08 69.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.851 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.754 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 47.3 mt -80.22 -1.86 42.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.948 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 3.5 t30 67.84 20.98 9.22 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.52 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.449 ' HB ' ' HG ' ' B' ' 40' ' ' LEU . 61.1 mt -87.93 76.01 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 177.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 2.8 mmt -82.32 -9.42 59.48 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.865 -178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.597 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 34.0 m-20 -50.29 105.66 0.54 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.452 176.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.9 -50.91 5.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.373 2.716 . . . . 0.0 113.996 -171.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 53.6 mt-30 -71.41 -35.86 71.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.172 0.51 . . . . 0.0 110.037 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.597 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 59.0 m170 -66.28 -41.83 89.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.705 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.54 ' HG2' HD23 ' B' ' 40' ' ' LEU . 51.0 mtp180 -53.35 -54.76 31.96 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.731 170.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.527 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -51.02 -43.46 60.88 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.506 -177.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 26.3 mtpt -68.44 -50.7 50.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.914 178.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 91.3 mt -54.76 -46.14 74.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.924 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.517 HD11 ' N ' ' B' ' 37' ' ' GLU . 0.5 OUTLIER -67.1 -35.62 80.17 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.446 -179.099 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.519 HG21 ' O ' ' A' ' 53' ' ' LYS . 36.3 m -67.78 -41.17 83.67 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.18 0.515 . . . . 0.0 110.131 178.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.579 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.96 -45.87 93.02 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.016 176.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.59 -42.65 93.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.921 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.43 -55.09 39.32 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.32 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.593 HD22 ' HA ' ' A' ' 57' ' ' ALA . 11.3 mp -72.55 -27.01 61.95 Favored 'General case' 0 C--O 1.216 -0.707 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.792 -175.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' B' ' 65' ' ' ASP . 71.4 mt -73.85 -24.04 59.7 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.795 -0.566 . . . . 0.0 110.853 175.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.401 ' HA ' ' HB2' ' B' ' 33' ' ' LYS . 46.4 tp -76.22 -33.36 59.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.706 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.484 ' OD1' ' HA3' ' A' ' 1' ' ' GLY . 34.8 t70 -104.09 -44.24 5.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.242 0.544 . . . . 0.0 112.068 -177.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.689 ' O ' ' HB3' ' A' ' 64' ' ' TYR . 87.0 m-85 -97.89 41.51 1.12 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.003 -173.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . 0.503 ' HB3' ' O ' ' B' ' 61' ' ' LEU . 14.3 p-10 -78.58 44.17 0.51 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.342 0.591 . . . . 0.0 111.435 -176.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 18.0 p 48.53 33.48 4.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.462 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.08 36.4 3.4 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.181 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.4 m 61.55 176.5 0.12 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.822 0.449 . . . . 0.0 111.516 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.126 178.471 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.491 ' HB2' ' OH ' ' B' ' 64' ' ' TYR . 15.7 Cg_exo -67.93 103.11 0.83 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.302 2.001 . . . . 0.0 112.037 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -87.14 -18.72 29.77 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.713 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.5 p -123.81 165.02 18.04 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.824 -177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 32' ' ' PHE . 2.3 tm? -60.02 -47.26 86.57 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.857 -176.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -52.2 -41.44 62.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.039 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.6 -32.21 67.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.641 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.531 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.8 tm? -70.04 -38.1 75.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.537 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -61.66 -36.64 81.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 177.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.09 -32.0 71.11 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.929 0.395 . . . . 0.0 110.39 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -38.78 92.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.973 -179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.557 ' CG2' HG23 ' B' ' 56' ' ' THR . 38.0 pt -98.06 -12.96 8.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.899 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.33 31.93 11.1 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.71 175.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.3 mm? -122.67 31.45 6.08 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 120.814 0.34 . . . . 0.0 110.757 178.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.533 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 15.1 pt-20 -61.02 -17.05 50.09 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.511 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.4 -22.91 65.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.962 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -117.52 11.69 13.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.652 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.533 ' OG1' ' HA ' ' A' ' 15' ' ' GLU . 26.4 m -54.97 -47.76 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.777 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 15.4 p -61.66 -36.8 81.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.626 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.415 ' CG2' ' HB3' ' A' ' 43' ' ' LEU . 24.4 m -57.05 -53.07 62.26 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.298 178.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 1.9 mm? -63.02 -52.39 63.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.185 177.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 27' ' ' GLN . 18.8 tp -53.34 -47.39 69.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.272 -0.877 . . . . 0.0 111.844 -175.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 19' ' ' SER . 91.9 mt -71.72 -29.41 64.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.675 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -89.78 9.74 26.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.993 0.425 . . . . 0.0 111.564 -177.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.36 -7.27 39.88 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.066 171.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.522 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 85.0 m-85 -87.18 80.32 8.33 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.348 0.594 . . . . 0.0 109.722 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.408 ' HA ' HD12 ' A' ' 22' ' ' LEU . 69.5 mt-30 -104.0 -22.35 13.47 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.03 -173.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -122.62 168.29 12.36 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.403 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.91 -28.51 68.99 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.433 0.635 . . . . 0.0 109.665 176.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.7 -26.36 64.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.892 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -80.62 -47.75 13.65 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.539 ' CD2' HD21 ' A' ' 5' ' ' LEU . 48.6 t80 -63.18 -27.51 69.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.024 -173.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -66.71 -8.71 29.85 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.992 -0.443 . . . . 0.0 111.446 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -106.04 5.12 29.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.349 0.595 . . . . 0.0 110.16 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.703 HD11 HD11 ' A' ' 40' ' ' LEU . 2.2 tm? -74.78 115.75 14.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.023 177.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -119.56 166.17 13.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 -174.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.715 ' N ' HD11 ' A' ' 55' ' ' LEU . 34.4 tt0 -61.25 -40.63 94.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.885 0.374 . . . . 0.0 111.071 -173.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.6 m -59.55 -26.94 65.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.473 176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.747 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.0 m170 -76.93 -34.93 57.63 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.76 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.703 HD11 HD11 ' A' ' 35' ' ' LEU . 8.7 mp -63.59 -31.61 72.83 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.603 177.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.682 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 95.5 m-20 -61.76 -34.0 75.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.895 174.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -77.89 -37.05 48.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.317 177.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.747 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 50.8 mt -76.36 -8.34 56.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.13 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.9 t30 68.77 24.66 6.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.378 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -84.89 81.97 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.358 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.682 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 32.1 mmt -93.75 11.31 29.59 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.236 -174.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.551 ' HB2' ' HB2' ' A' ' 50' ' ' HIS . 38.6 m-20 -77.09 101.86 0.71 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.792 176.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.44 -56.36 2.95 Favored 'Trans proline' 0 N--CA 1.474 0.369 0 C-N-CA 123.277 2.651 . . . . 0.0 114.242 -166.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 52.4 mt-30 -68.8 -33.06 73.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.233 0.539 . . . . 0.0 110.297 -179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 24.9 m170 -68.58 -36.53 78.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.861 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 47' ' ' ASP . 48.2 mtp180 -57.66 -53.0 63.14 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.565 171.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.553 ' HB1' ' CG ' ' B' ' 53' ' ' LYS . . . -53.92 -41.6 67.85 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.465 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.618 ' O ' HG21 ' B' ' 56' ' ' THR . 28.8 mtpt -65.37 -51.7 58.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.727 177.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.4 mt -53.97 -46.26 71.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.491 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.715 HD11 ' N ' ' A' ' 37' ' ' GLU . 2.8 mm? -61.11 -45.22 95.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.315 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.621 HG21 ' O ' ' B' ' 53' ' ' LYS . 42.2 m -61.73 -40.82 96.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 -178.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.598 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -60.09 -44.03 95.08 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.014 176.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.35 95.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 6.5 mm-40 -57.31 -48.36 79.13 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.634 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.597 HD22 ' HA ' ' B' ' 57' ' ' ALA . 8.8 mp -71.62 -48.86 45.16 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.654 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.531 HD11 ' HG ' ' A' ' 8' ' ' LEU . 85.0 mt -56.82 -28.22 61.18 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.861 0.363 . . . . 0.0 111.566 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.6 -35.92 77.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.701 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -108.41 -33.14 7.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.33 0.586 . . . . 0.0 111.575 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.497 ' OH ' ' HB2' ' B' ' 2' ' ' PRO . 97.5 m-85 -106.05 38.75 1.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.143 -171.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -78.91 42.81 0.48 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.376 0.608 . . . . 0.0 111.034 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 p 49.38 36.0 8.96 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.979 0.911 . . . . 0.0 113.146 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.09 37.84 2.99 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.347 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.1 m 63.22 163.79 0.11 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.413 0.625 . . . . 0.0 111.963 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.652 -177.592 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 CA-C-O 119.741 -0.477 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.497 ' HB2' ' OH ' ' A' ' 64' ' ' TYR . 15.5 Cg_exo -67.97 103.55 0.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.278 1.986 . . . . 0.0 111.886 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -87.43 -18.78 29.18 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.789 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 15.8 p -124.0 165.0 18.2 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.812 -177.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' B' ' 32' ' ' PHE . 2.3 tm? -60.41 -46.97 88.08 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.838 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.405 ' CG ' HG21 ' B' ' 18' ' ' THR . 3.4 t-160 -52.45 -41.17 63.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.99 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.71 -32.49 67.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.545 -176.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.538 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.8 tm? -69.72 -38.19 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.464 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.527 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -61.61 -36.63 81.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.15 -32.0 71.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.971 0.415 . . . . 0.0 110.485 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.76 92.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.552 ' CG2' HG23 ' A' ' 56' ' ' THR . 37.8 pt -98.01 -13.11 8.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.878 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.39 31.8 11.21 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.73 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.527 ' O ' HD12 ' B' ' 9' ' ' LEU . 2.3 mm? -122.8 31.57 6.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.889 0.376 . . . . 0.0 110.691 178.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.526 ' HA ' ' OG1' ' B' ' 18' ' ' THR . 15.2 pt-20 -60.83 -16.94 46.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.49 177.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -62.13 -22.18 65.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.11 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -117.9 11.56 13.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.584 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.526 ' OG1' ' HA ' ' B' ' 15' ' ' GLU . 26.2 m -54.88 -47.53 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.788 178.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 20.0 p -61.97 -36.54 81.75 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.629 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' B' ' 43' ' ' LEU . 24.1 m -57.16 -53.19 60.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.336 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.511 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 1.9 mm? -63.01 -52.19 63.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.228 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.0 tp -53.55 -47.29 70.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.784 -175.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 19' ' ' SER . 91.6 mt -71.78 -29.71 64.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.595 -177.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -89.49 9.68 25.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.97 0.414 . . . . 0.0 111.507 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.43 -6.96 39.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.71 -0.757 . . . . 0.0 113.077 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.511 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 85.2 m-85 -87.39 80.42 8.15 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.344 0.592 . . . . 0.0 109.706 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -103.99 -22.65 13.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.029 -173.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -122.41 167.85 12.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.393 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.54 -28.57 69.26 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.459 0.647 . . . . 0.0 109.693 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.69 -26.34 64.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.89 177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.403 ' HB3' ' HA ' ' B' ' 26' ' ' TYR . 44.7 m-20 -80.68 -47.99 13.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.356 0.598 . . . . 0.0 109.569 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . 0.545 ' CD2' HD21 ' B' ' 5' ' ' LEU . 48.2 t80 -62.9 -27.42 69.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.199 -0.91 . . . . 0.0 112.021 -173.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.86 -9.04 33.45 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.359 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -105.72 5.26 30.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.431 0.634 . . . . 0.0 110.283 176.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 40' ' ' LEU . 2.2 tm? -74.98 116.05 15.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.955 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -119.85 166.16 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.02 -174.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.714 ' N ' HD11 ' B' ' 55' ' ' LEU . 34.1 tt0 -61.23 -40.75 95.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.909 0.385 . . . . 0.0 111.108 -173.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 51.2 m -59.51 -26.65 65.48 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.464 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.737 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 23.1 m170 -77.22 -35.09 55.85 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.693 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.711 HD11 HD11 ' B' ' 35' ' ' LEU . 8.7 mp -63.43 -31.59 72.79 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 120.812 0.339 . . . . 0.0 110.69 177.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . 0.712 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 95.5 m-20 -61.85 -33.99 75.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.832 174.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -77.98 -36.98 48.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.251 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.737 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 49.3 mt -76.46 -8.19 56.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.226 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 t30 68.68 24.74 6.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.373 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 69.6 mt -85.06 82.04 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.251 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.712 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 31.9 mmt -93.66 10.95 30.69 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.166 -174.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' B' ' 50' ' ' HIS . 35.1 m-20 -76.55 101.62 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.807 176.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.31 -56.15 3.16 Favored 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 123.252 2.635 . . . . 0.0 114.293 -166.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.55 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 52.4 mt-30 -69.27 -32.8 72.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.268 0.556 . . . . 0.0 110.214 -178.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.532 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 24.9 m170 -68.59 -36.72 79.1 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.823 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' B' ' 47' ' ' ASP . 49.3 mtp180 -57.51 -52.99 63.13 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.624 171.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.56 ' HB1' ' CG ' ' A' ' 53' ' ' LYS . . . -54.0 -41.68 68.23 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.348 -178.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.621 ' O ' HG21 ' A' ' 56' ' ' THR . 28.8 mtpt -65.29 -51.68 59.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.789 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -54.03 -46.17 71.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.513 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.714 HD11 ' N ' ' B' ' 37' ' ' GLU . 2.8 mm? -61.19 -45.21 95.55 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.202 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.618 HG21 ' O ' ' A' ' 53' ' ' LYS . 41.6 m -61.8 -40.79 96.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.597 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -60.18 -44.01 95.4 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.004 176.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.6 95.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 6.3 mm-40 -56.93 -48.65 77.78 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.542 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' A' ' 57' ' ' ALA . 8.8 mp -71.44 -48.99 46.01 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.635 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.538 HD11 ' HG ' ' B' ' 8' ' ' LEU . 84.2 mt -56.86 -28.11 61.28 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.53 -178.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.77 -35.81 77.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.71 178.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -108.28 -33.3 7.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.603 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . 0.491 ' OH ' ' HB2' ' A' ' 2' ' ' PRO . 97.5 m-85 -105.82 38.62 1.95 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.152 -171.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.9 42.5 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.321 0.581 . . . . 0.0 111.05 178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.1 p 49.55 36.18 9.84 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.158 0.983 . . . . 0.0 113.012 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -85.3 37.66 3.02 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.36 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 93.4 m 63.62 163.92 0.12 Allowed 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.234 0.614 . . . . 0.0 111.916 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.905 -0.569 . . . . 0.0 110.443 -178.229 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.225 -0.35 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.5 126.52 10.99 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.787 2.325 . . . . 0.0 112.011 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -108.56 -10.0 15.28 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.9 p -130.53 169.07 16.04 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.353 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.458 ' O ' HD23 ' A' ' 9' ' ' LEU . 2.4 tm? -60.85 -51.19 70.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -176.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.47 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 12.7 t-80 -54.82 -44.7 74.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.473 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.52 -36.41 82.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.48 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HG ' HD11 ' A' ' 61' ' ' LEU . 2.9 tm? -66.28 -44.28 84.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.007 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 mm? -60.84 -39.56 89.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.501 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 6' ' ' HIS . 48.4 mt-10 -65.55 -37.57 87.1 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.042 0.448 . . . . 0.0 110.486 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -41.37 97.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.34 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.491 ' CG2' HG23 ' B' ' 56' ' ' THR . 39.4 pt -92.68 -15.58 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.906 -177.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.97 24.41 15.2 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.905 175.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 9' ' ' LEU . 3.4 mm? -119.28 30.27 7.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.974 0.416 . . . . 0.0 110.113 177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 9' ' ' LEU . 11.3 pt-20 -57.35 -21.26 34.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.771 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.39 -21.05 65.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.512 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -115.86 14.41 16.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.86 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.8 m -55.79 -45.91 78.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.183 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 22.0 t -64.27 -35.82 82.09 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.26 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.2 m -57.51 -52.27 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.211 0.529 . . . . 0.0 110.072 178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 26' ' ' TYR . 2.4 mm? -63.71 -49.87 71.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.97 177.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.32 -48.94 65.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.69 -177.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 19' ' ' SER . 88.9 mt -67.43 -31.48 71.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.387 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -92.25 13.71 18.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.045 0.45 . . . . 0.0 111.524 -175.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.34 -12.56 58.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.74 171.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.527 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 91.0 m-85 -82.78 70.82 9.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.249 0.547 . . . . 0.0 109.651 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -100.45 -7.87 23.8 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.507 -174.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.5 p -132.4 162.88 29.99 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.168 -178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.52 -28.78 67.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.372 0.606 . . . . 0.0 109.49 175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.539 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 1.4 mp0 -68.23 -28.86 67.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.204 177.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -89.33 -39.95 13.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 109.943 177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.9 -29.47 70.64 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.7 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 15.0 ptpt -65.78 -5.33 8.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.166 -0.333 . . . . 0.0 111.482 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -106.67 6.02 29.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 109.871 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.583 HD11 HD11 ' A' ' 40' ' ' LEU . 3.3 tm? -74.63 126.66 31.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.222 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' A' ' 35' ' ' LEU . 21.6 mmt180 -128.75 171.4 12.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.694 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.543 ' HB2' HD21 ' A' ' 55' ' ' LEU . 43.6 tt0 -60.85 -43.17 98.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.789 -179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.1 m -56.68 -28.92 61.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.474 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.745 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 46.7 m170 -79.03 -29.78 43.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.845 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.629 ' CD2' ' HA ' ' A' ' 51' ' ' ARG . 7.2 mp -71.07 -26.64 63.16 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 176.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.729 ' HA ' ' HE1' ' A' ' 46' ' ' MET . 82.2 m-20 -60.1 -35.68 75.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -77.35 -34.14 55.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.547 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 39' ' ' HIS . 45.2 mt -80.58 -6.46 58.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.112 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 t30 67.74 31.05 6.11 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.559 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -101.31 82.65 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.771 178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.729 ' HE1' ' HA ' ' A' ' 41' ' ' ASN . 31.3 mmt -86.07 -10.47 54.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.118 -177.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 48' ' ' PRO . 20.0 m-20 -60.61 110.62 3.07 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.463 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 47' ' ' ASP . 37.1 Cg_exo -56.85 -49.26 15.06 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 124.059 3.173 . . . . 0.0 114.129 -170.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.652 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 46.6 mt-30 -68.09 -38.8 82.74 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.057 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 47' ' ' ASP . 19.6 m170 -64.34 -40.86 96.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.629 ' HA ' ' CD2' ' A' ' 40' ' ' LEU . 46.0 mtp180 -57.12 -56.91 15.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.59 172.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' B' ' 52' ' ' ALA . . . -54.55 -41.14 69.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.54 -176.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.652 ' HG3' ' O ' ' A' ' 49' ' ' GLN . 26.2 mtpt -67.84 -53.29 28.03 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.227 -0.189 . . . . 0.0 111.013 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.452 HD12 HD21 ' A' ' 40' ' ' LEU . 86.1 mt -55.18 -43.89 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.165 0.507 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -64.18 -49.62 71.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.726 -179.458 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.555 HG21 ' O ' ' B' ' 53' ' ' LYS . 58.7 m -61.72 -39.14 90.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.133 -178.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.611 ' HA ' HD22 ' B' ' 60' ' ' LEU . . . -59.17 -48.69 80.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.809 176.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.64 91.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.299 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 55' ' ' LEU . 24.3 mm-40 -58.67 -54.58 45.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.376 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD22 ' HA ' ' B' ' 57' ' ' ALA . 6.8 mp -65.31 -44.63 87.25 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.731 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD11 ' HG ' ' A' ' 8' ' ' LEU . 91.2 mt -61.09 -21.94 64.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.896 0.379 . . . . 0.0 111.732 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.15 -30.62 68.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.303 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -107.52 -37.28 6.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.789 -178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -104.81 44.28 1.04 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.379 -174.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.63 57.79 2.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.187 0.518 . . . . 0.0 111.043 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.3 p 48.42 41.71 17.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.548 -174.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.58 135.27 12.5 Favored Glycine 0 N--CA 1.441 -0.997 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 175.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 39.1 m -58.9 148.72 29.23 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -176.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.248 1.013 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.423 179.78 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 112.182 -0.367 . . . . 0.0 112.182 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.58 126.6 10.99 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.795 2.33 . . . . 0.0 111.854 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -108.61 -10.16 15.24 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 23.5 p -130.31 169.19 15.77 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.354 -178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 9' ' ' LEU . 2.3 tm? -60.77 -51.21 70.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.988 -176.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.469 ' O ' ' HG3' ' B' ' 10' ' ' GLU . 12.9 t-80 -54.93 -44.6 74.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.392 -178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -62.43 -36.56 82.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.666 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.528 ' HG ' HD11 ' B' ' 61' ' ' LEU . 2.9 tm? -66.28 -44.19 84.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.986 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.476 HD12 ' O ' ' B' ' 14' ' ' LEU . 4.4 mm? -60.97 -39.52 89.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.477 177.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' B' ' 6' ' ' HIS . 48.6 mt-10 -65.55 -37.59 87.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.029 0.442 . . . . 0.0 110.539 176.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -41.27 97.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.307 -177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.475 ' CG2' HG23 ' A' ' 56' ' ' THR . 39.7 pt -92.86 -15.55 8.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.912 -177.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.11 24.18 15.48 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.009 175.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.476 ' O ' HD12 ' B' ' 9' ' ' LEU . 3.4 mm? -119.09 30.35 7.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.917 0.389 . . . . 0.0 110.158 177.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.449 ' HA ' ' HB3' ' B' ' 9' ' ' LEU . 11.3 pt-20 -57.34 -21.67 36.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.891 177.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.97 -21.33 64.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.422 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -115.61 14.31 16.48 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.919 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.4 m -55.63 -46.12 77.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.05 0.453 . . . . 0.0 110.196 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.573 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 22.5 t -64.21 -35.75 81.81 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.248 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 19.3 m -57.59 -52.3 65.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.107 0.479 . . . . 0.0 110.109 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' B' ' 26' ' ' TYR . 2.4 mm? -63.48 -50.04 71.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.969 177.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 17.5 tp -52.3 -48.89 65.1 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.732 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' B' ' 19' ' ' SER . 88.5 mt -67.44 -31.41 71.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.442 -177.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -92.26 12.96 20.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.0 0.428 . . . . 0.0 111.561 -175.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.24 57.72 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.832 171.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.534 ' HB2' ' HB3' ' B' ' 21' ' ' LEU . 91.4 m-85 -83.11 70.74 10.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.389 0.614 . . . . 0.0 109.6 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -100.25 -8.02 23.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.447 -174.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 70.5 p -132.5 162.89 30.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.961 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.47 -29.02 67.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.326 0.584 . . . . 0.0 109.449 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.545 ' HA ' ' HE3' ' B' ' 33' ' ' LYS . 1.3 mp0 -68.22 -28.69 67.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.314 177.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -89.34 -40.17 12.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.077 0.465 . . . . 0.0 109.935 176.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -63.62 -29.7 70.91 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.714 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.545 ' HE3' ' HA ' ' B' ' 30' ' ' GLU . 15.0 ptpt -65.62 -5.48 8.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.144 -0.348 . . . . 0.0 111.376 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -106.54 5.79 29.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.578 0.704 . . . . 0.0 109.89 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.597 HD11 HD11 ' B' ' 40' ' ' LEU . 3.3 tm? -74.28 126.87 31.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.257 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.525 ' HD3' ' O ' ' B' ' 35' ' ' LEU . 21.5 mmt180 -129.15 171.08 12.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.638 -177.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.569 ' HB2' HD21 ' B' ' 55' ' ' LEU . 43.1 tt0 -60.54 -43.26 97.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.972 0.415 . . . . 0.0 110.773 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m -56.48 -28.89 60.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.649 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . 0.744 ' O ' ' HG ' ' B' ' 43' ' ' LEU . 47.4 m170 -78.85 -30.15 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.854 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.633 ' CD2' ' HA ' ' B' ' 51' ' ' ARG . 7.3 mp -70.91 -26.76 63.35 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 176.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . 0.716 ' HA ' ' HE1' ' B' ' 46' ' ' MET . 82.0 m-20 -59.91 -35.42 74.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.636 0.731 . . . . 0.0 109.071 171.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -78.08 -33.5 50.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.496 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.744 ' HG ' ' O ' ' B' ' 39' ' ' HIS . 46.3 mt -80.97 -6.6 58.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.062 -178.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 t30 68.03 31.05 5.69 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.365 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 62.8 mt -101.17 82.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.851 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . 0.716 ' HE1' ' HA ' ' B' ' 41' ' ' ASN . 31.4 mmt -86.13 -10.2 55.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.074 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' B' ' 48' ' ' PRO . 19.0 m-20 -60.85 110.58 3.08 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.345 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 47' ' ' ASP . 36.6 Cg_exo -56.7 -49.24 15.28 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.96 3.107 . . . . 0.0 114.216 -170.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.656 ' O ' ' HG3' ' B' ' 53' ' ' LYS . 46.5 mt-30 -68.16 -38.64 82.34 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.083 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . 0.4 ' HB2' ' HB2' ' B' ' 47' ' ' ASP . 19.7 m170 -64.53 -40.71 96.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.633 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 46.3 mtp180 -57.19 -56.82 16.81 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.562 172.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . . . -54.62 -41.16 69.66 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.51 -176.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 26.3 mtpt -67.94 -53.11 28.75 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 121.256 -0.178 . . . . 0.0 110.988 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LEU . . . . . 0.471 HD12 HD21 ' B' ' 40' ' ' LEU . 86.0 mt -55.4 -43.76 75.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.604 ' O ' ' HG2' ' B' ' 59' ' ' GLU . 0.2 OUTLIER -64.24 -49.58 71.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.851 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.571 HG21 ' O ' ' A' ' 53' ' ' LYS . 59.1 m -61.68 -39.07 90.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.002 0.43 . . . . 0.0 111.139 -178.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' A' ' 60' ' ' LEU . . . -59.18 -48.7 80.64 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.782 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.39 90.62 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.265 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' B' ' 55' ' ' LEU . 23.5 mm-40 -58.77 -54.55 45.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.434 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.611 HD22 ' HA ' ' A' ' 57' ' ' ALA . 6.7 mp -65.43 -44.52 87.06 Favored 'General case' 0 C--O 1.214 -0.776 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.698 -179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.528 HD11 ' HG ' ' B' ' 8' ' ' LEU . 91.5 mt -61.18 -21.78 64.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.839 0.352 . . . . 0.0 111.685 -178.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 35.2 tp -69.16 -30.82 69.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.201 0.524 . . . . 0.0 110.285 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -107.33 -37.54 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.755 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -104.7 44.26 1.04 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.349 -174.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -78.59 57.9 2.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.294 0.569 . . . . 0.0 111.03 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.4 p 48.2 41.58 16.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.634 -174.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.44 135.24 12.5 Favored Glycine 0 N--CA 1.441 -0.992 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 40.0 m -59.08 148.49 30.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.634 0.254 . . . . 0.0 111.587 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.569 179.974 . . . . . . . . 0 0 . 1 stop_ save_