data_2l09_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2l09 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -83.91 112.34 20.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.023 0.44 . . . . 0.0 110.388 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 48.5 m95 -92.13 124.18 36.02 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.551 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.2 p -70.92 157.42 38.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.91 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.1 m -57.06 -39.12 74.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.816 0.341 . . . . 0.0 110.772 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.19 -40.73 86.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.572 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.97 98.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.718 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 59.5 mtpt -54.47 -46.54 73.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.846 175.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.7 m -64.17 -41.5 97.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.917 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -62.81 -38.89 92.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.359 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.9 -34.78 78.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 110.342 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 59.5 mttm -68.51 -28.91 67.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.111 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -75.18 -13.02 60.42 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.967 0.413 . . . . 0.0 111.079 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.9 mt -83.91 138.92 40.03 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.847 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.43 136.18 68.6 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.778 2.318 . . . . 0.0 112.39 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.36 -35.66 70.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.11 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -61.54 -29.13 69.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.812 0.339 . . . . 0.0 111.496 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.68 13.84 14.3 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -71.54 -43.14 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.61 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -61.18 -43.26 99.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.518 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 21.8 tp60 -56.95 -50.5 72.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.641 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -65.01 -44.59 88.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.404 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.2 tttm -54.93 -43.63 73.54 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.806 0.336 . . . . 0.0 110.727 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.18 93.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.37 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 26.5 mmm180 -66.79 -49.19 66.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.882 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.51 HD12 HG22 ' A' ' 45' ' ' VAL . 76.6 mt -56.75 -50.26 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.604 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 59.3 mt-10 -68.06 -30.67 69.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 -177.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.11 -35.47 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.071 0.463 . . . . 0.0 109.998 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 28' ' ' ILE . 61.6 mt -63.9 -38.45 91.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.048 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.509 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -61.9 -36.87 82.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.686 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -72.34 -26.14 61.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.006 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -67.88 -26.53 66.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.15 -4.51 27.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.105 176.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 56.54 41.96 27.9 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.983 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -110.6 145.17 38.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.469 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -89.31 -13.53 37.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.359 0.599 . . . . 0.0 109.757 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.1 mt -115.92 128.69 73.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.019 -175.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.509 HG11 ' HB1' ' A' ' 32' ' ' ALA . 13.2 m -95.61 135.5 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.284 0.564 . . . . 0.0 110.343 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.456 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 69.7 p -97.13 161.81 24.93 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.798 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 20.4 Cg_endo -61.14 -18.56 58.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.392 2.062 . . . . 0.0 111.555 175.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -70.49 -39.21 74.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.29 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.02 -41.42 86.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.51 HG22 HD12 ' A' ' 28' ' ' ILE . 44.6 t -60.75 -43.0 94.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.35 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' OE2' ' HD3' ' A' ' 49' ' ' ARG . 7.1 tp10 -62.25 -44.18 97.14 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.925 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -52.5 -48.89 65.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.615 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.41 80.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.349 0.595 . . . . 0.0 110.817 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HD3' ' OE2' ' A' ' 46' ' ' GLU . 30.5 ttt-85 -71.11 -36.45 72.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.533 0.683 . . . . 0.0 109.965 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -42.73 62.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.708 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.94 -38.84 89.96 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.571 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CZ ' ' HG3' ' A' ' 27' ' ' ARG . 22.0 m-30 . . . . . 0 C--N 1.334 -0.107 0 CA-C-O 120.852 0.358 . . . . 0.0 110.52 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.441 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 69.9 mt . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 120.726 0.298 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -90.59 114.17 26.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.716 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.601 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -94.76 131.01 41.05 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.753 -176.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 53.9 p -78.56 162.85 26.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 p -57.87 -35.44 70.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.961 0.41 . . . . 0.0 111.16 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 1.6 mp0 -68.17 -47.16 68.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.876 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.255 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 6' ' ' THR . 54.6 mtpt -63.06 -38.48 91.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.422 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.2 m -70.99 -41.43 70.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.991 0.424 . . . . 0.0 110.604 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -57.8 -43.13 85.44 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.53 -40.68 97.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.101 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.82 -13.75 62.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.991 0.424 . . . . 0.0 111.091 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -88.49 -3.25 58.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.907 0.384 . . . . 0.0 110.535 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.551 HG12 ' HD3' ' A' ' 49' ' ' ARG . 40.9 mt -95.57 137.21 22.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.16 134.37 43.58 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.906 2.404 . . . . 0.0 112.285 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.12 -38.72 73.85 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.96 -173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -64.21 -15.73 60.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.322 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.35 -0.11 11.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -69.01 -40.84 78.43 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -63.23 -37.96 89.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.367 0.603 . . . . 0.0 110.115 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' A' ' 23' ' ' GLN . 6.6 tt0 -74.12 -42.84 59.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.832 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.483 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.95 -43.57 82.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.601 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 66.1 tttm -56.2 -44.35 79.36 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.591 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.28 -44.3 83.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.473 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 22.7 ttm-85 -66.67 -46.54 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.212 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.7 mt -56.15 -49.14 77.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 111.178 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.23 -26.02 62.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.98 -38.21 72.75 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.758 0.313 . . . . 0.0 110.411 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 70.4 mt -62.14 -42.58 99.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 110.318 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -67.56 -43.15 81.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.048 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ARG . 27.5 mmt180 -67.36 -19.69 65.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -68.22 -40.42 82.11 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.91 -9.97 59.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.291 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 63.16 35.1 13.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.971 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 4.6 pt20 -104.76 146.56 28.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.687 177.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.403 ' HA ' HD21 ' A' ' 3' ' ' LEU . 7.2 m-20 -91.74 -6.93 51.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.016 0.436 . . . . 0.0 110.503 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -118.3 129.93 73.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.035 -176.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.45 HG11 ' HB2' ' A' ' 32' ' ' ALA . 23.1 m -96.65 135.11 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.048 0.452 . . . . 0.0 110.332 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.458 ' OG1' HD13 ' A' ' 44' ' ' LEU . 4.6 p -96.34 157.26 35.82 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.643 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.91 -31.4 81.43 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 123.096 2.53 . . . . 0.0 112.912 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -70.31 -30.68 67.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.827 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 HD13 ' OG1' ' A' ' 41' ' ' THR . 9.0 mp -68.85 -39.68 79.76 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 175.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.5 t -62.66 -43.61 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.879 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.518 ' CD ' HH21 ' A' ' 49' ' ' ARG . 10.5 tp10 -60.92 -47.61 85.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.236 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.522 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -57.14 -38.61 73.76 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.708 -178.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.72 97.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.219 0.533 . . . . 0.0 110.379 176.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.551 ' HD3' HG12 ' A' ' 16' ' ' ILE . 38.7 ttp180 -73.43 -26.18 60.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.175 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -45.83 80.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.417 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 34.9 mm-40 -54.84 -55.27 32.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.354 177.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 178.891 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.41 HD11 ' HG3' ' A' ' 33' ' ' ARG . 48.6 mt . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.21 113.0 21.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.322 0.582 . . . . 0.0 110.51 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.667 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 43.6 m95 -94.05 123.84 37.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.977 -178.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.0 p -69.13 159.29 33.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.104 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -35.99 71.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.137 0.494 . . . . 0.0 111.058 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -71.26 -42.63 68.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.13 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.49 89.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.327 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 58.8 mtpt -59.66 -38.67 82.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.0 m -65.3 -42.93 92.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -66.01 -33.47 75.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.723 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.499 HD13 HD13 ' A' ' 16' ' ' ILE . 34.8 tp -64.09 -34.58 78.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.259 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 96.5 mttt -66.95 -21.12 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.102 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -77.86 -11.98 59.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.081 0.467 . . . . 0.0 110.456 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.499 HD13 HD13 ' A' ' 13' ' ' LEU . 27.7 mt -89.9 133.34 34.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.213 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.26 137.03 14.48 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.145 2.564 . . . . 0.0 112.331 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -51.84 -47.99 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -70.5 -28.5 65.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 111.84 -174.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.08 -7.16 33.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.885 0.374 . . . . 0.0 110.97 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 38.3 ttm180 -65.18 -42.15 93.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.284 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.6 t -64.93 -36.38 84.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.268 0.556 . . . . 0.0 110.021 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.4 -44.05 63.05 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.436 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.507 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -63.82 -42.12 97.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.291 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.667 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 60.7 tttm -52.99 -44.17 67.01 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 123.318 0.386 . . . . 0.0 110.841 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' A' ' 30' ' ' GLN . . . -56.7 -46.94 80.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.448 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.549 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 45.7 mtp85 -67.72 -42.86 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.918 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 24' ' ' ALA . 74.8 mt -56.64 -47.21 82.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.063 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 87.4 mt-10 -66.03 -37.61 86.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.715 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 79.7 mt-30 -62.17 -35.37 78.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.463 176.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 95.3 mt -64.52 -38.76 92.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.585 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.18 68.26 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.027 0.442 . . . . 0.0 110.602 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 83.0 mtt180 -63.5 -32.34 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.707 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -65.52 -36.66 84.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.19 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.11 -5.41 58.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.04 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 70.45 43.44 0.8 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.526 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -137.91 155.37 49.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.005 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.4 -2.08 55.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.064 0.459 . . . . 0.0 110.623 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -110.76 132.0 60.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.412 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 5' ' ' TRP . 21.3 m -97.45 138.15 23.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.319 0.581 . . . . 0.0 110.045 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 p -103.3 156.49 35.35 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.457 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.42 -37.29 97.41 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.268 2.645 . . . . 0.0 114.295 -172.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -77.07 -24.87 51.86 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.663 -175.489 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.99 -36.99 78.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.22 0.534 . . . . 0.0 109.715 172.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 28' ' ' ILE . 91.1 t -61.18 -51.04 77.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.942 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.57 -22.79 58.81 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.533 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -63.03 -41.64 99.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.93 73.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.027 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.4 ttt-85 -71.48 -28.74 64.14 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -42.31 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.417 177.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 47' ' ' GLN . 37.7 mt-10 -58.18 -50.87 72.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.886 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.675 179.237 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.818 0.342 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.51 ' HD3' HG12 ' A' ' 39' ' ' ILE . 38.3 ttt85 -77.62 116.23 18.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.964 0.411 . . . . 0.0 110.539 178.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.675 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.7 m95 -96.41 129.7 43.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.664 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 40.1 p -73.88 156.7 37.42 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.503 175.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -60.5 -31.96 70.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.119 0.485 . . . . 0.0 110.711 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -68.14 -44.23 76.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.968 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.97 99.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.913 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 6' ' ' THR . 97.0 mttt -55.02 -47.19 75.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 110.602 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -63.0 -38.7 92.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.875 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.31 -38.52 87.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.932 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.87 -37.43 86.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.252 0.549 . . . . 0.0 110.07 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -70.27 -20.11 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.33 175.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -77.74 -17.97 57.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.824 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.586 HG12 ' HG3' ' A' ' 49' ' ' ARG . 47.3 mt -86.97 136.51 34.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.662 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.91 136.06 65.17 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.533 2.155 . . . . 0.0 111.546 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.546 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 63.3 t80 -51.04 -35.02 32.15 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.781 0.432 . . . . 0.0 111.674 -178.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -57.43 -31.1 65.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.629 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.13 5.87 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.546 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 6.0 mtm180 -64.24 -49.14 73.08 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.251 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 m -61.96 -43.84 98.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.42 . . . . 0.0 110.665 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.48 -49.4 76.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.431 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -61.77 -47.71 83.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.737 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.675 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 66.0 tttm -51.97 -44.85 64.19 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.474 0.484 . . . . 0.0 110.964 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.77 91.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.995 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.553 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 43.0 ttt180 -75.86 -35.9 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.003 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 24' ' ' ALA . 94.0 mt -59.21 -53.17 51.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.12 0.486 . . . . 0.0 110.779 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 49.3 mt-10 -69.79 -24.11 63.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.298 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -69.66 -40.83 76.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.954 0.407 . . . . 0.0 110.029 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 81.3 mt -64.85 -33.11 75.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.486 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -66.72 -36.8 83.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.16 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 36.7 mmt180 -66.02 -36.63 83.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.245 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -61.3 -40.76 95.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.516 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.25 -12.0 59.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.448 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 67.48 37.2 3.51 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.247 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -126.08 146.69 49.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.665 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.9 15.62 16.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.217 0.532 . . . . 0.0 110.64 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.51 HG12 ' HD3' ' A' ' 4' ' ' ARG . 66.5 mt -126.94 135.5 63.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.536 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.493 HG13 ' HB1' ' A' ' 32' ' ' ALA . 20.2 m -103.25 138.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.239 0.542 . . . . 0.0 110.679 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 34.8 p -97.07 159.25 31.82 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.229 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.4 Cg_endo -60.41 -32.06 93.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.407 2.072 . . . . 0.0 112.007 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.09 -25.77 58.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.89 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.44 -41.66 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.117 0.484 . . . . 0.0 109.827 172.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.431 HG22 HD11 ' A' ' 28' ' ' ILE . 40.1 t -63.77 -42.6 96.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.648 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.513 ' CD ' HH12 ' A' ' 49' ' ' ARG . 51.8 tp10 -55.07 -57.28 12.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.966 174.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.514 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 58.4 tp60 -55.03 -47.17 75.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.347 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.3 82.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.673 0.273 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.586 ' HG3' HG12 ' A' ' 16' ' ' ILE . 1.1 tmm_? -76.57 -23.85 53.54 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -41.01 62.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.472 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 78.2 mm-40 -53.07 -54.42 35.81 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.776 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.739 -177.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.5 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.466 ' HD2' HG12 ' A' ' 39' ' ' ILE . 71.9 mtt180 -84.37 117.25 23.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.031 0.443 . . . . 0.0 109.842 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.555 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 47.7 m95 -99.6 125.26 45.38 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.888 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.8 p -71.85 157.96 36.93 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -57.95 -41.5 82.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.452 0.644 . . . . 0.0 109.956 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -60.93 -44.06 97.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.62 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.42 90.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.274 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 55.8 mtpt -57.65 -43.16 84.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.057 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.8 m -67.37 -39.37 85.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -63.65 -39.5 94.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.028 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.582 HD11 HD13 ' A' ' 16' ' ' ILE . 46.1 tp -60.52 -36.22 77.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.117 0.484 . . . . 0.0 110.495 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 97.5 mttt -69.22 -15.01 63.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.468 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -92.87 3.17 56.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.021 0.439 . . . . 0.0 110.83 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.582 HD13 HD11 ' A' ' 13' ' ' LEU . 56.8 mt -95.95 133.27 25.56 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.776 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -52.69 134.96 55.52 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.818 2.345 . . . . 0.0 111.676 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -53.18 -44.99 68.32 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -171.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -58.05 -27.62 63.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.51 9.22 13.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.975 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -72.72 -50.38 25.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.864 0.364 . . . . 0.0 110.698 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 m -66.55 -27.73 67.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.103 0.478 . . . . 0.0 110.157 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.409 HE21 ' HA ' ' A' ' 23' ' ' GLN . 0.1 OUTLIER -72.96 -46.5 52.04 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.763 177.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.587 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -60.18 -43.16 96.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.224 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.555 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 63.7 tttm -51.3 -48.17 62.38 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.444 0.465 . . . . 0.0 110.985 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.8 -36.9 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.598 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 15.8 ttm180 -76.9 -38.03 54.32 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.869 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 24' ' ' ALA . 86.6 mt -58.34 -52.87 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.051 0.453 . . . . 0.0 110.699 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.02 -28.64 67.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.403 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -65.11 -44.16 89.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.229 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 83.8 mt -65.26 -31.91 73.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.779 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.498 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -66.41 -36.26 82.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.745 176.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -62.75 -37.48 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.308 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -71.49 -32.34 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.366 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.5 -4.61 54.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.98 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 64.78 35.29 8.79 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.908 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -133.92 143.52 48.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -86.5 -9.2 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.494 0.664 . . . . 0.0 109.971 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 HG12 ' HD2' ' A' ' 4' ' ' ARG . 45.6 mt -110.03 132.94 56.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.682 -177.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.498 HG11 ' HB1' ' A' ' 32' ' ' ALA . 14.3 m -98.61 135.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.363 0.601 . . . . 0.0 110.457 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.51 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 24.9 p -99.27 161.24 25.32 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.018 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.51 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 17.9 Cg_endo -59.08 -23.18 67.7 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.555 2.17 . . . . 0.0 111.961 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.09 -42.4 80.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.273 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 HD12 ' OG1' ' A' ' 41' ' ' THR . 10.8 mp -66.58 -39.38 88.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.144 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.47 HG21 HD12 ' A' ' 28' ' ' ILE . 47.0 t -61.99 -45.1 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.199 0.523 . . . . 0.0 110.165 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.73 -53.64 56.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.084 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -52.91 -47.56 67.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.567 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -63.71 -34.54 78.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.625 0.25 . . . . 0.0 111.203 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.546 ' HD3' HG12 ' A' ' 16' ' ' ILE . 40.2 ttp180 -69.33 -39.71 78.02 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.888 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 50' ' ' LEU . 3.1 mm? -73.27 -27.1 61.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.09 178.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 64.3 mm-40 -54.32 -53.21 56.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.725 -177.57 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -88.15 131.4 34.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.917 0.389 . . . . 0.0 110.333 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.636 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -109.18 131.1 55.39 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -175.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 p -71.58 159.34 34.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.953 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.3 m -56.14 -41.06 74.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.28 0.562 . . . . 0.0 110.32 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -65.38 -45.44 84.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.65 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.0 90.95 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 64.9 mttm -55.71 -48.39 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m -60.7 -44.51 96.47 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.525 ' HG3' ' CB ' ' A' ' 42' ' ' PRO . 1.5 mmmm -66.56 -32.96 74.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.421 -178.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 16' ' ' ILE . 59.3 tp -64.65 -35.42 80.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.998 0.427 . . . . 0.0 110.249 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 94.7 mttt -70.18 -16.38 63.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.48 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -82.25 -15.59 52.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.198 0.523 . . . . 0.0 110.25 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 13' ' ' LEU . 59.2 mt -81.53 134.4 51.22 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.69 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.34 130.1 36.82 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.486 2.124 . . . . 0.0 111.523 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.53 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 92.1 t80 -52.23 -38.24 57.5 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.326 0.391 . . . . 0.0 111.996 -175.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -57.65 -27.73 63.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 111.24 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.57 8.19 11.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.382 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 8.7 mtm180 -66.06 -46.33 78.17 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.433 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -61.75 -41.02 97.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.204 0.526 . . . . 0.0 110.36 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -66.65 -48.29 69.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.703 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.588 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.6 -48.02 81.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.636 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 52.6 tttm -55.58 -39.64 70.96 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.468 0.48 . . . . 0.0 110.896 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.13 80.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.474 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.567 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 15.3 ttm180 -73.29 -39.75 65.09 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.133 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 24' ' ' ALA . 85.3 mt -54.3 -48.51 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.997 0.427 . . . . 0.0 111.091 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -71.8 -29.73 64.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.863 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -68.88 -37.66 79.17 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.828 0.347 . . . . 0.0 110.856 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 84.1 mt -62.29 -37.96 87.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 110.1 177.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.492 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -67.22 -32.83 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.725 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -66.6 -33.71 76.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.069 0.462 . . . . 0.0 109.881 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -35.1 79.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.682 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.77 -8.14 56.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.958 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 65.11 29.17 12.11 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.156 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -110.38 143.36 40.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -88.32 -9.69 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.232 0.539 . . . . 0.0 110.067 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.8 mt -112.35 126.6 69.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.098 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 5' ' ' TRP . 19.6 m -93.47 142.79 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.163 0.506 . . . . 0.0 110.759 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 29.1 p -104.51 159.81 28.1 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.977 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.525 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 21.4 Cg_endo -59.14 -22.98 67.04 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.835 2.356 . . . . 0.0 112.196 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -64.04 -51.8 62.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.173 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.41 -35.07 79.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.665 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.32 -52.24 63.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.108 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.57 -33.29 62.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.461 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 25.4 tp60 -53.69 -50.59 65.53 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.609 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.06 -31.53 72.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.048 0.451 . . . . 0.0 110.626 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.552 ' HG3' HG12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.07 -38.31 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.682 -178.106 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -40.25 78.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.945 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 47' ' ' GLN . 50.0 mt-10 -56.82 -48.65 77.53 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.435 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 45.1 m-85 . . . . . 0 C--N 1.328 -0.36 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.149 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.7 mt . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.834 0.35 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.414 ' HD3' HG12 ' A' ' 39' ' ' ILE . 37.5 ttt180 -81.82 107.74 14.79 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.558 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 48.1 m95 -90.09 124.03 34.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p -70.24 161.29 30.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.766 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.5 t -61.14 -36.99 81.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.066 0.46 . . . . 0.0 109.931 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -65.62 -44.32 86.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.27 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.27 -45.63 93.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.834 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -58.03 -41.08 82.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.618 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -63.88 -48.5 76.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.683 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -64.29 -35.7 81.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.662 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.53 -32.23 73.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 110.154 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -76.34 -4.39 41.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.238 177.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.53 -8.38 50.47 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.299 0.571 . . . . 0.0 109.603 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.6 mt -97.25 124.89 47.62 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.156 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -52.12 133.56 47.3 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.847 2.365 . . . . 0.0 111.82 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.43 ' HA ' ' HB3' ' A' ' 21' ' ' ARG . 53.1 p90 -57.43 -27.0 62.02 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.88 -35.25 76.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.959 0.409 . . . . 0.0 110.991 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.18 -5.94 13.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.019 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' PHE . 59.4 ttt180 -64.12 -37.07 86.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.41 -176.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.8 p -63.97 -44.55 92.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.198 0.523 . . . . 0.0 110.252 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.15 -43.69 86.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.274 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.527 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -64.28 -43.05 96.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.282 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 63.5 tttm -56.13 -43.99 78.75 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.175 0.297 . . . . 0.0 110.672 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.94 86.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.599 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 19.4 tpt180 -70.08 -45.5 66.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.854 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.0 mt -56.17 -51.56 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 111.035 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.671 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 56.6 mt-10 -67.77 -32.35 72.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.497 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -65.18 -42.09 94.0 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.984 0.421 . . . . 0.0 110.029 175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 80.6 mt -60.62 -38.67 85.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.28 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -65.75 -40.57 92.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.607 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.671 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 87.4 mtt-85 -60.5 -40.69 92.29 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -39.56 92.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.172 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.24 -6.73 54.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.049 0.452 . . . . 0.0 110.729 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.27 24.87 10.6 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.768 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -110.22 140.06 44.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.611 175.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.64 0.01 57.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.244 0.545 . . . . 0.0 110.215 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.414 HG12 ' HD3' ' A' ' 4' ' ' ARG . 41.8 mt -113.04 133.35 59.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.211 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.514 HG23 ' HA ' ' A' ' 5' ' ' TRP . 20.1 m -98.29 134.64 36.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.359 0.6 . . . . 0.0 110.339 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -100.87 155.36 36.41 Favored Pre-proline 0 C--N 1.313 -0.979 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.213 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.12 -30.98 94.61 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.928 2.418 . . . . 0.0 113.65 -173.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -24.09 51.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.603 0.239 . . . . 0.0 111.358 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.29 -37.86 68.9 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.076 0.465 . . . . 0.0 109.751 171.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 HG23 ' A' ' 28' ' ' ILE . 80.8 t -61.29 -45.4 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.09 175.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -71.2 -35.9 71.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.396 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.521 HE21 ' C ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -54.62 -51.35 65.65 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.661 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.28 70.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.05 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -66.6 -40.99 89.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.571 0.7 . . . . 0.0 109.375 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -29.53 62.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.725 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 44.0 mm-40 -54.99 -51.89 64.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.137 174.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.182 -177.512 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.504 HD11 ' HG3' ' A' ' 33' ' ' ARG . 33.6 mt . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.029 0.442 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 39' ' ' ILE . 53.0 mtt180 -92.47 120.16 32.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.838 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.611 ' HB2' ' HZ3' ' A' ' 10' ' ' LYS . 32.7 m95 -103.1 135.31 45.0 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.847 -173.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.1 p -73.74 155.89 38.43 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -57.85 -38.07 75.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.102 0.477 . . . . 0.0 110.849 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -72.29 -33.68 67.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.894 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -39.28 83.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 110.446 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.611 ' HZ3' ' HB2' ' A' ' 5' ' ' TRP . 65.0 mttm -59.92 -44.79 94.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.791 175.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.0 m -61.34 -45.69 93.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.729 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -64.33 -38.51 91.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.399 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.74 -44.73 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.994 0.426 . . . . 0.0 110.256 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -69.46 -12.46 61.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.193 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -79.64 -20.49 46.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.386 0.613 . . . . 0.0 109.552 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.534 HG12 ' HD3' ' A' ' 49' ' ' ARG . 55.3 mt -86.0 133.76 40.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.062 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.6 134.47 53.2 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.057 2.505 . . . . 0.0 112.14 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -47.65 -42.43 24.47 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.594 0.559 . . . . 0.0 112.29 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.28 -33.39 67.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.567 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.12 -0.41 15.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.732 0.301 . . . . 0.0 111.152 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -69.72 -46.18 66.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.989 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -63.81 -37.47 87.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.16 0.505 . . . . 0.0 110.269 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -67.9 -46.71 70.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.616 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.56 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -63.76 -42.59 97.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.349 176.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 47.6 tttm -55.76 -42.39 75.4 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.258 0.349 . . . . 0.0 110.823 177.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.89 79.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 16.3 mtp180 -75.65 -34.28 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.606 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.4 mt -62.78 -52.03 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.972 0.415 . . . . 0.0 110.634 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 42.2 mt-10 -67.44 -25.87 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.622 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.461 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 34.6 tt0 -64.58 -48.2 75.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.221 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 75.6 mt -60.51 -38.73 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.273 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -75.34 -38.26 60.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.467 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.504 ' HG3' HD11 ' A' ' 3' ' ' LEU . 58.5 mtm180 -71.9 -19.69 61.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.038 0.447 . . . . 0.0 110.145 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -74.5 -32.53 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.459 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.52 -6.73 58.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.267 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 63.55 52.6 2.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.184 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.55 170.28 16.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.117 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 8.6 m-20 -96.55 -28.59 14.31 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 -176.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 51.1 mt -102.01 138.99 24.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.267 -171.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 5' ' ' TRP . 12.0 m -106.66 141.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.23 0.538 . . . . 0.0 110.079 176.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.3 p -104.24 155.95 36.48 Favored Pre-proline 0 C--N 1.317 -0.809 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.374 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -51.19 -30.96 34.49 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.844 2.363 . . . . 0.0 112.93 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -61.5 -43.02 99.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.06 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.67 -35.04 78.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.74 0.305 . . . . 0.0 110.785 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.453 ' HA ' HG12 ' A' ' 28' ' ' ILE . 57.4 t -64.47 -45.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.211 0.529 . . . . 0.0 109.734 175.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' CD ' HH21 ' A' ' 49' ' ' ARG . 8.4 tp10 -59.91 -45.16 93.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.999 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.415 HE21 ' CA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -55.05 -41.07 70.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.774 179.225 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.25 90.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.534 ' HD3' HG12 ' A' ' 16' ' ' ILE . 50.6 ttp180 -74.5 -33.32 62.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -45.45 94.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.79 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.67 -46.46 84.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.115 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 111.198 -179.591 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.437 ' O ' ' HD1' ' A' ' 5' ' ' TRP . 52.3 mt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.916 0.388 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -81.26 108.35 14.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.407 0.623 . . . . 0.0 109.942 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.516 ' HA ' HG23 ' A' ' 40' ' ' VAL . 37.1 m95 -99.64 129.71 45.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.087 -178.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 p -78.29 158.84 28.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 t -60.12 -35.92 76.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.949 0.404 . . . . 0.0 110.021 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 2.2 mp0 -61.97 -46.33 89.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.708 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.43 ' HB1' HG23 ' A' ' 45' ' ' VAL . . . -63.69 -47.07 82.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.128 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 60.6 mtpt -57.78 -39.01 76.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.071 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.3 m -66.87 -40.54 87.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.402 . . . . 0.0 110.636 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -62.8 -39.42 94.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.682 177.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.537 HD11 HD13 ' A' ' 16' ' ' ILE . 47.1 tp -63.01 -36.9 85.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.761 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 63.2 mttm -65.66 -26.96 68.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.961 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -82.29 -7.4 59.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.065 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.537 HD13 HD11 ' A' ' 13' ' ' LEU . 58.6 mt -84.14 132.28 48.41 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.755 174.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.24 148.23 71.63 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.876 2.384 . . . . 0.0 112.458 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -55.5 -34.36 64.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.593 -177.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -63.79 -19.53 65.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.69 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.35 8.68 8.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.659 0.266 . . . . 0.0 111.116 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -59.63 -46.93 87.52 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.5 t -77.51 -41.04 40.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.852 0.358 . . . . 0.0 110.079 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -59.76 -45.06 93.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.75 -45.81 73.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.3 tttm -55.97 -46.68 78.57 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.744 0.307 . . . . 0.0 110.541 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.5 88.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.718 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.582 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 20.0 tpt180 -64.7 -51.6 61.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.711 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' A' ' 45' ' ' VAL . 62.6 mt -56.24 -51.75 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.611 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.19 -32.28 73.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.876 -176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.431 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 48.2 mt-30 -72.49 -35.47 68.18 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.667 174.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 96.3 mt -61.74 -31.77 71.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 110.343 175.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.442 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -68.62 -40.38 80.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.501 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 mtp-105 -64.4 -36.6 84.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.124 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 22.0 mt-30 -67.15 -26.51 66.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.105 0.479 . . . . 0.0 110.154 174.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.55 -1.35 57.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.131 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 71.2 23.73 4.01 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.617 0.573 . . . . 0.0 111.693 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -127.11 152.09 47.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.566 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -99.6 1.39 43.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.179 0.514 . . . . 0.0 110.021 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -108.57 131.61 58.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.496 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 5' ' ' TRP . 17.0 m -98.03 132.45 42.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.266 0.555 . . . . 0.0 109.713 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.4 p -94.18 159.63 33.76 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.694 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.86 -25.55 69.9 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.094 1.862 . . . . 0.0 110.911 175.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.75 -54.65 44.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.287 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.4 -42.72 99.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.258 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 28' ' ' ILE . 56.7 t -60.8 -47.68 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.84 -33.87 66.44 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.177 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -48.09 81.67 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.11 72.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.449 0.642 . . . . 0.0 110.321 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -75.06 -25.57 58.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.285 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 -48.67 12.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.518 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -64.85 -35.45 81.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.676 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 22.0 m-30 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.989 0.424 . . . . 0.0 109.927 175.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.563 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 90.1 mt . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.747 0.308 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.786 HH21 ' HB3' ' A' ' 38' ' ' ASP . 85.0 mtm180 -81.94 116.6 21.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.502 0.668 . . . . 0.0 111.134 178.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.563 ' HA ' HG23 ' A' ' 40' ' ' VAL . 41.6 m95 -98.48 127.59 44.47 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.524 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.0 p -68.03 157.69 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.979 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -57.14 -37.6 72.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.904 0.383 . . . . 0.0 110.99 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.45 -41.33 76.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.703 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.48 96.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.782 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' HE2' ' O ' ' A' ' 5' ' ' TRP . 68.8 mttm -59.25 -45.9 89.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.806 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 m -64.75 -44.92 88.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -63.04 -35.56 80.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.57 HD11 HD13 ' A' ' 16' ' ' ILE . 53.4 tp -63.95 -38.27 90.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.721 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -64.93 -23.83 67.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -71.28 -24.23 62.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.16 0.505 . . . . 0.0 110.812 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.57 HD13 HD11 ' A' ' 13' ' ' LEU . 59.3 mt -75.89 130.42 78.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.084 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.11 133.84 42.09 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.878 2.385 . . . . 0.0 112.236 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -50.5 -38.34 43.66 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.457 0.473 . . . . 0.0 111.817 -176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -57.46 -27.78 62.78 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.493 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.82 -15.65 10.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -176.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -58.24 -46.64 85.58 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -174.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 m -60.31 -44.63 95.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.3 0.571 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -69.35 -36.95 77.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.809 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.57 -38.59 84.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.53 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.8 tttm -56.56 -49.14 75.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 0.0 110.275 177.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.7 69.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.931 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -73.11 -47.92 40.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.441 177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.516 ' HA ' HD11 ' A' ' 31' ' ' LEU . 83.4 mt -59.93 -47.35 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.6 -28.37 65.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.769 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -70.98 -35.17 72.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.011 0.434 . . . . 0.0 109.882 173.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 28' ' ' ILE . 69.0 mt -63.46 -39.64 95.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.101 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.529 ' HB2' HG11 ' A' ' 40' ' ' VAL . . . -66.33 -40.23 89.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.508 175.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -57.2 -42.59 81.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.922 0.391 . . . . 0.0 110.789 174.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.77 -38.58 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.556 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.47 -11.63 60.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.601 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 69.17 31.42 4.01 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.456 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -126.37 162.12 26.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.668 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.786 ' HB3' HH21 ' A' ' 4' ' ' ARG . 9.9 t70 -101.78 -26.73 13.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.424 0.63 . . . . 0.0 110.161 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.41 120.73 39.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.477 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.563 HG23 ' HA ' ' A' ' 5' ' ' TRP . 16.6 m -93.94 136.52 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.434 0.635 . . . . 0.0 110.767 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.7 p -98.71 159.7 29.74 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.596 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.57 -21.46 62.35 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.283 1.988 . . . . 0.0 111.49 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.56 -50.65 73.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.509 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.91 -35.32 79.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.625 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.451 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 97.0 t -58.77 -54.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.919 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.38 -38.74 92.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.085 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -52.52 62.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.598 -178.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.05 73.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.027 0.441 . . . . 0.0 110.648 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -67.29 -34.86 78.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -65.06 -45.38 85.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.053 178.163 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.98 -48.58 81.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.042 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 63.0 m-85 . . . . . 0 C--O 1.236 0.376 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.026 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 120.793 0.33 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.424 ' HB2' HG12 ' A' ' 39' ' ' ILE . 47.4 mtt180 -82.85 115.96 21.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.234 0.54 . . . . 0.0 110.482 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.492 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 43.3 m95 -98.19 129.39 44.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.967 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 54.5 p -75.98 165.24 25.25 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.2 m -58.26 -41.09 83.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.54 -37.61 74.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.813 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.37 98.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.713 0.292 . . . . 0.0 110.877 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HE2' ' O ' ' A' ' 5' ' ' TRP . 64.0 mttm -57.17 -45.25 83.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.353 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -64.76 -43.03 94.62 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.16 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -61.05 -41.87 97.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.279 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.457 HD12 HD13 ' A' ' 16' ' ' ILE . 49.3 tp -61.49 -38.27 86.7 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.89 0.376 . . . . 0.0 110.407 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -73.74 -8.3 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.743 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -90.33 -10.96 42.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.143 0.496 . . . . 0.0 110.523 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.457 HD13 HD12 ' A' ' 13' ' ' LEU . 63.4 mt -83.77 132.53 48.59 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.805 177.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.32 135.67 54.11 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.739 2.293 . . . . 0.0 112.069 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -50.24 -39.47 44.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.971 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -61.45 -24.41 66.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.74 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.17 2.11 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -68.54 -45.41 72.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.593 0.235 . . . . 0.0 111.21 -174.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -62.11 -39.52 92.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.296 0.569 . . . . 0.0 110.145 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -67.35 -46.7 72.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.166 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.579 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.49 -44.11 97.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 43.1 tttp -54.62 -43.32 72.15 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.248 0.342 . . . . 0.0 111.082 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.75 89.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.612 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 13.1 tpt180 -70.4 -41.02 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.655 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 24' ' ' ALA . 80.8 mt -56.91 -52.85 50.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.034 0.445 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.53 -22.88 63.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.512 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -70.59 -45.42 65.38 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 72.8 mt -59.46 -39.42 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.759 179.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.957 0.408 . . . . 0.0 110.804 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -65.84 -26.68 67.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.29 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -68.12 -35.66 78.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.981 0.42 . . . . 0.0 110.003 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.34 -5.53 59.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.75 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 68.72 32.98 3.93 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.924 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -121.37 144.41 48.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.777 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.66 12.37 32.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.019 0.438 . . . . 0.0 110.094 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.424 HG12 ' HB2' ' A' ' 4' ' ' ARG . 63.7 mt -122.2 135.25 62.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.434 178.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.469 HG23 ' HA ' ' A' ' 5' ' ' TRP . 11.9 m -106.47 142.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.334 0.588 . . . . 0.0 110.358 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.446 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 37.8 p -107.34 162.65 19.03 Favored Pre-proline 0 C--N 1.315 -0.904 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.572 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.446 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.3 Cg_endo -59.31 -24.26 73.54 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.185 1.923 . . . . 0.0 111.392 176.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.89 -49.08 77.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.843 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.21 -39.31 78.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.67 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.419 ' HA ' HG12 ' A' ' 28' ' ' ILE . 44.5 t -58.85 -46.18 91.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.178 177.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -58.47 -53.11 62.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.215 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 10.1 mm100 -55.92 -43.95 77.84 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.41 -179.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.28 88.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.836 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -67.31 -38.61 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -33.63 74.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 13.1 mm-40 -59.4 -46.59 88.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.056 0.455 . . . . 0.0 110.331 175.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 82.7 m-85 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.62 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.674 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 65.1 mt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.444 0.164 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -77.14 105.04 7.98 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.257 0.551 . . . . 0.0 110.532 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.58 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 52.5 m95 -86.09 124.97 33.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.296 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.5 p -71.31 155.74 40.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.8 m -56.45 -37.62 70.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.959 0.409 . . . . 0.0 111.038 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.16 -37.63 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.61 88.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.326 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -58.91 -42.72 90.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.908 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.6 m -66.97 -35.91 81.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.104 0.478 . . . . 0.0 110.73 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -71.68 -37.35 70.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.32 -41.74 98.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.887 0.375 . . . . 0.0 110.094 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.83 -14.33 61.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.97 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -76.91 -25.52 53.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.412 HG12 ' HD3' ' A' ' 49' ' ' ARG . 66.4 mt -80.38 134.38 55.15 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.814 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -50.78 137.29 42.71 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.056 2.504 . . . . 0.0 112.22 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -57.83 -25.26 60.39 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.96 0.409 . . . . 0.0 111.101 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -64.4 -30.39 71.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.191 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.95 7.39 9.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -71.58 -44.69 64.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.495 -174.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -67.4 -37.01 82.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.024 0.44 . . . . 0.0 109.848 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 6.1 tp-100 -62.26 -46.35 89.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.043 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.52 -42.7 99.69 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.845 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.9 tttm -53.92 -45.51 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.877 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.41 89.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.867 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.613 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 11.2 mmt85 -67.6 -49.59 62.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.495 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.489 ' HA ' HD11 ' A' ' 31' ' ' LEU . 71.0 mt -57.92 -47.12 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.544 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -70.95 -25.08 62.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.81 -44.43 73.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 59.0 mt -59.31 -42.86 92.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.784 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB2' HG13 ' A' ' 40' ' ' VAL . . . -67.32 -41.6 85.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.36 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -68.11 -25.39 65.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.995 0.426 . . . . 0.0 110.572 176.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.49 -34.98 68.06 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.2 -3.65 55.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.048 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 70.13 25.98 4.57 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.125 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -121.52 161.21 22.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.326 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.674 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 18.8 t70 -106.08 -14.41 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.265 0.555 . . . . 0.0 110.183 -178.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.4 mt -98.66 123.93 51.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.478 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.562 HG23 ' HA ' ' A' ' 5' ' ' TRP . 13.3 m -97.72 135.54 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.175 0.512 . . . . 0.0 110.318 177.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.2 p -101.96 157.85 32.89 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.524 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.27 -27.9 77.23 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.578 2.185 . . . . 0.0 112.805 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.8 -44.0 97.42 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 120.583 0.23 . . . . 0.0 110.704 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.47 -36.2 80.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.802 0.334 . . . . 0.0 110.703 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.426 HG23 HD12 ' A' ' 28' ' ' ILE . 48.4 t -65.29 -45.36 93.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.238 0.542 . . . . 0.0 110.089 176.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -43.57 98.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.112 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -54.36 -49.42 69.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.365 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -61.71 -35.59 78.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.047 0.451 . . . . 0.0 110.748 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.412 ' HD3' HG12 ' A' ' 16' ' ' ILE . 28.0 tpt85 -69.62 -36.49 76.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.003 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.49 -32.8 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.527 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 47.6 mm-40 -56.04 -47.38 77.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.18 0.514 . . . . 0.0 109.719 171.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.944 -179.116 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.9 mt . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -87.46 120.13 28.45 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.404 0.621 . . . . 0.0 110.764 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.627 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -102.36 130.28 49.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.092 -175.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 35.4 p -70.19 157.47 37.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.564 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.421 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 22.7 t -59.13 -31.35 68.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.232 0.539 . . . . 0.0 110.097 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -70.06 -44.97 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.816 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.25 96.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.091 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 6' ' ' THR . 63.3 mttm -55.9 -51.6 67.03 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.024 0.44 . . . . 0.0 110.311 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 m -64.12 -39.46 94.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.057 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -62.56 -39.59 94.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.342 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.597 HD13 HD12 ' A' ' 16' ' ' ILE . 55.8 tp -61.94 -37.13 83.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 91.3 mttt -68.94 -16.14 63.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.39 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -76.13 -27.05 56.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.156 0.503 . . . . 0.0 110.206 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 13' ' ' LEU . 55.1 mt -72.77 130.07 85.89 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.643 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.89 138.87 69.73 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.949 2.433 . . . . 0.0 112.334 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -56.58 -25.27 52.0 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.322 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -63.19 -26.72 68.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.256 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 12.01 4.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.72 -175.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -69.99 -49.15 54.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -172.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -68.95 -31.14 69.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -68.46 -45.5 72.29 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -64.83 -42.98 94.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.6 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.627 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 88.3 tttt -53.94 -43.34 69.73 Favored 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.269 0.356 . . . . 0.0 110.579 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.0 93.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.165 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.518 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 24.6 ttm180 -70.12 -37.79 75.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 24' ' ' ALA . 82.4 mt -59.93 -49.88 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.792 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 50.3 mt-10 -67.68 -29.25 68.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.038 0.447 . . . . 0.0 110.201 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.26 -45.44 84.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.276 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 71.7 mt -61.3 -37.42 83.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.494 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -68.09 -30.42 69.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 11.1 mmm180 -67.0 -38.24 85.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 0.0 110.055 175.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -72.67 -32.69 66.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.148 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.27 -14.09 60.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.084 175.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 61.5 57.64 2.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.707 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -148.81 158.26 44.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.412 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -98.91 -14.14 19.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.768 0.318 . . . . 0.0 110.4 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.6 mt -108.63 124.87 65.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.223 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.529 HG23 ' HA ' ' A' ' 5' ' ' TRP . 19.4 m -93.45 137.68 22.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.421 0.629 . . . . 0.0 110.776 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.523 ' HB ' ' OE1' ' A' ' 43' ' ' GLU . 2.6 p -98.81 155.48 36.61 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.379 177.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.38 -31.54 77.82 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.822 2.348 . . . . 0.0 112.588 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.523 ' OE1' ' HB ' ' A' ' 41' ' ' THR . 5.1 mp0 -60.69 -40.93 94.01 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 178.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.07 -34.84 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 110.33 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.418 HG12 HD13 ' A' ' 28' ' ' ILE . 62.1 t -63.98 -46.65 93.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.216 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' OE2' ' HD3' ' A' ' 49' ' ' ARG . 4.7 tp10 -64.21 -39.75 94.63 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.99 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.67 -52.58 55.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.812 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.4 74.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.978 0.418 . . . . 0.0 110.881 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HD3' ' OE2' ' A' ' 46' ' ' GLU . 54.7 ttt180 -71.93 -36.22 69.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.216 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -42.16 95.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.436 176.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 42.5 mm-40 -52.49 -58.86 5.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.109 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.91 -178.511 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.55 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 42.5 mt . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -80.29 110.78 16.05 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.674 0.75 . . . . 0.0 111.177 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.58 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 51.0 m95 -95.69 122.22 38.23 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.905 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.41 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.9 p -69.18 155.31 40.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.594 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.0 p -57.88 -34.39 69.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.273 0.558 . . . . 0.0 110.538 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -70.58 -39.67 73.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.438 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.89 89.88 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.014 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 6' ' ' THR . 95.1 mttt -54.46 -45.3 73.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.565 175.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -62.49 -40.11 95.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.086 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -67.35 -39.47 85.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.064 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.626 HD12 HD13 ' A' ' 16' ' ' ILE . 29.9 tp -63.83 -32.11 73.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.144 0.497 . . . . 0.0 110.359 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -75.6 -6.87 52.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.344 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -88.69 -12.73 41.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.229 175.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.626 HD13 HD12 ' A' ' 13' ' ' LEU . 45.0 mt -88.64 133.85 35.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.815 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.92 129.57 33.65 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.643 2.229 . . . . 0.0 111.678 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -51.67 -31.79 27.11 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -63.9 -35.89 82.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.387 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.9 6.18 16.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.968 0.414 . . . . 0.0 110.758 -176.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.53 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 20.7 ttm180 -67.99 -47.21 69.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.428 ' HA ' ' HB3' ' A' ' 25' ' ' LYS . 26.3 m -69.37 -31.72 70.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.511 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.31 -50.05 71.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.913 175.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.592 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.5 -43.14 99.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.03 176.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 35.6 tttp -57.05 -41.01 77.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.561 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 30' ' ' GLN . . . -61.28 -38.94 88.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.919 0.39 . . . . 0.0 110.723 176.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 35.9 ttt85 -72.58 -40.47 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 177.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 24' ' ' ALA . 80.7 mt -57.5 -52.33 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 110.793 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 52.7 mt-10 -67.91 -25.06 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.63 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 26' ' ' ALA . 1.2 tp-100 -73.16 -41.2 64.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.211 176.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 39.7 mt -59.34 -43.69 92.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.311 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.478 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.25 -36.04 78.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.975 177.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 44.2 mtp180 -67.59 -32.95 74.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.939 177.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -69.64 -24.1 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.147 0.499 . . . . 0.0 109.992 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.22 -9.18 46.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.41 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 4.5 mm-40 62.13 44.67 7.68 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.354 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -132.95 148.83 52.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.645 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.55 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 14.2 t70 -88.75 -21.3 23.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.478 0.656 . . . . 0.0 109.434 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.5 mt -90.86 122.9 42.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.805 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.499 HG23 ' HA ' ' A' ' 5' ' ' TRP . 19.7 m -97.09 135.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.403 0.621 . . . . 0.0 110.129 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.451 ' HB ' ' OE1' ' A' ' 43' ' ' GLU . 26.5 p -98.0 154.38 37.78 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.097 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.505 ' HG2' ' OE2' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -58.46 -26.19 76.97 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.59 2.193 . . . . 0.0 112.124 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.505 ' OE2' ' HG2' ' A' ' 42' ' ' PRO . 4.7 mp0 -59.38 -42.72 92.33 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.09 176.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -70.15 -38.96 75.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.73 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.35 -49.96 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 110.388 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.72 -43.31 96.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.287 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.619 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 60.5 tp60 -54.41 -50.28 67.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.43 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HA ' ' CG ' ' A' ' 51' ' ' GLU . . . -62.8 -29.96 71.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.246 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -72.17 -30.93 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 50' ' ' LEU . 2.7 mm? -78.14 -32.37 50.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.605 176.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 9.7 mm-40 -52.85 -48.42 67.06 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 -179.305 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.542 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 48.9 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.549 ' HD3' HG12 ' A' ' 39' ' ' ILE . 21.0 ttt180 -73.76 96.6 2.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.544 0.688 . . . . 0.0 110.319 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.655 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 53.8 m95 -82.3 123.52 29.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.499 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 20.9 p -68.06 155.27 39.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 m -57.95 -36.21 72.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.925 0.393 . . . . 0.0 111.263 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -74.51 -36.64 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.115 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.81 -41.77 97.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.375 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 6' ' ' THR . 57.4 mtpt -58.44 -45.31 88.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.507 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.3 m -64.61 -42.15 95.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.563 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -60.88 -42.25 97.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.163 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD12 HD11 ' A' ' 16' ' ' ILE . 55.5 tp -60.5 -37.77 82.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.756 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -71.98 -8.2 53.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.332 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -95.66 2.31 54.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.091 0.472 . . . . 0.0 110.341 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 13' ' ' LEU . 63.2 mt -96.34 132.16 27.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.592 173.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.77 141.3 28.21 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.212 2.608 . . . . 0.0 112.658 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -49.34 -47.59 47.19 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -57.81 -31.58 66.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.953 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.16 1.02 14.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.586 -176.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -66.85 -40.28 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 p -71.94 -40.89 68.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.737 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.37 -47.72 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.485 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.511 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.45 -42.91 99.8 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.693 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 59.8 tttm -52.25 -44.67 65.02 Favored 'General case' 0 C--O 1.231 0.082 0 O-C-N 123.235 0.334 . . . . 0.0 110.722 177.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 30' ' ' GLN . . . -60.32 -43.9 95.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.555 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.554 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 8.7 mmm180 -68.3 -39.49 82.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.608 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 24' ' ' ALA . 87.2 mt -61.37 -47.17 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.202 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -67.68 -28.45 67.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.047 0.451 . . . . 0.0 110.557 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 15.9 mm100 -75.71 -34.57 60.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.571 175.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 98.0 mt -64.61 -34.58 78.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 174.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.517 ' HB2' HG11 ' A' ' 40' ' ' VAL . . . -67.14 -38.6 85.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.279 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' A' ' 33' ' ' ARG . 24.1 mmt180 -70.38 -25.35 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.846 176.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.84 -30.28 56.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.24 0.543 . . . . 0.0 109.604 174.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.22 -5.5 59.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.251 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 62.76 42.05 8.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.313 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -144.2 155.49 43.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.021 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 19.2 t70 -90.64 -23.19 20.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.409 0.623 . . . . 0.0 110.209 -177.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.549 HG12 ' HD3' ' A' ' 4' ' ' ARG . 37.5 mt -86.37 118.04 31.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.354 -177.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.621 HG21 ' HA ' ' A' ' 5' ' ' TRP . 3.8 m -92.7 138.79 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.9 p -104.67 161.84 21.61 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.213 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -58.73 -22.08 59.56 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.268 1.979 . . . . 0.0 111.664 175.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.42 -48.71 80.6 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.185 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.34 -40.94 81.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.906 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.508 HG22 HD12 ' A' ' 28' ' ' ILE . 31.6 t -63.16 -43.51 98.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.339 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -57.88 -52.99 63.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.357 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.586 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -53.19 -46.56 69.03 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.464 179.581 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.06 90.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.063 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.44 ' HD3' HG12 ' A' ' 16' ' ' ILE . 42.9 ttp180 -74.07 -30.37 62.35 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.284 0.564 . . . . 0.0 109.568 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -42.36 88.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.461 177.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 18.2 mm-40 -54.12 -57.25 11.81 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.571 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.839 -178.478 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.87 0.367 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -85.59 115.03 23.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.018 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.563 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 46.1 m95 -97.82 123.86 41.96 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.426 -177.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 p -68.78 152.65 45.04 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.8 t -59.24 -35.45 73.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.968 0.413 . . . . 0.0 110.291 -176.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.17 -35.91 74.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.748 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.6 82.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.467 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -57.65 -41.74 82.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.553 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -61.74 -47.4 85.37 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.568 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -59.27 -42.2 90.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.298 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' HG ' ' NH1' ' A' ' 21' ' ' ARG . 47.8 tp -60.87 -34.68 74.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.003 -178.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -76.82 -17.77 58.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.763 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -90.17 -6.2 55.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.943 0.401 . . . . 0.0 110.689 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.5 mt -82.46 132.17 53.28 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.865 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.57 145.91 56.25 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.203 2.602 . . . . 0.0 112.584 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.495 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 88.6 t80 -55.7 -38.01 69.13 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.626 -177.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -57.77 -32.45 67.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.97 -2.95 22.28 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.697 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 6.6 mmm180 -53.35 -58.97 5.24 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.7 t -67.47 -37.5 82.99 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.981 0.419 . . . . 0.0 110.691 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -67.14 -44.15 80.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.759 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.531 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.23 -52.15 50.61 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.967 -178.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 59.8 tttm -52.35 -45.32 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.332 0.395 . . . . 0.0 110.805 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.617 ' O ' ' HG3' ' A' ' 30' ' ' GLN . . . -55.82 -51.19 68.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.759 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -69.26 -38.85 78.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.384 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 24' ' ' ALA . 97.6 mt -57.27 -47.88 83.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.971 0.415 . . . . 0.0 110.497 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 51.5 mt-10 -69.66 -26.1 64.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 25.4 mt-30 -72.67 -38.02 67.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.094 0.474 . . . . 0.0 109.834 173.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 28' ' ' ILE . 83.2 mt -62.48 -31.08 71.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.409 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.531 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -70.78 -37.05 73.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.42 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 50.2 mtt180 -64.75 -37.12 86.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.457 0.646 . . . . 0.0 109.456 174.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.14 -35.93 81.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.329 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.24 -4.78 59.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.783 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.52 57.81 2.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.818 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -153.45 156.54 38.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.552 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -83.91 -11.64 56.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.257 0.551 . . . . 0.0 110.101 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.1 mt -105.42 138.81 28.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.802 -173.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.547 HG23 ' HA ' ' A' ' 5' ' ' TRP . 13.3 m -104.69 134.84 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 p -101.19 155.96 35.72 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.291 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.426 ' HG2' ' OE2' ' A' ' 43' ' ' GLU . 11.1 Cg_endo -56.75 -25.26 59.7 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.485 2.123 . . . . 0.0 112.18 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' OE2' ' HG2' ' A' ' 42' ' ' PRO . 2.9 mp0 -58.98 -46.91 86.95 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 110.538 175.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.95 -35.79 79.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.783 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.43 -44.47 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.121 0.486 . . . . 0.0 109.835 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -61.18 -50.3 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.102 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -52.01 -54.35 30.97 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.411 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.81 75.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.966 0.412 . . . . 0.0 110.621 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 49' ' ' ARG . 41.5 ttt-85 -65.94 -47.51 74.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.497 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -33.29 68.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.557 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -53.96 -49.58 68.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.027 0.441 . . . . 0.0 110.343 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.449 -179.062 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' ' 38' ' ' ASP . 93.8 mt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.907 0.384 . . . . 0.0 111.602 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.536 ' HD3' HG12 ' A' ' 39' ' ' ILE . 79.2 ttt180 -84.71 125.6 32.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.648 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.572 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 51.3 m95 -103.83 128.22 51.28 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.502 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.6 p -72.99 167.95 20.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.562 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -37.72 74.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.942 0.401 . . . . 0.0 110.656 177.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -72.5 -40.82 66.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.958 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.81 94.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.977 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -61.36 -45.3 94.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.386 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.5 m -64.13 -46.2 85.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.732 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HB3' HG12 ' A' ' 45' ' ' VAL . 58.1 mmtt -57.37 -45.15 84.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.449 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.9 -35.01 79.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 0.0 110.858 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -75.83 -21.82 56.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -81.19 -7.11 59.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.606 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.449 HG12 ' HD2' ' A' ' 49' ' ' ARG . 11.1 mt -91.23 128.54 46.9 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.799 176.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -40.77 134.72 2.31 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.671 2.914 . . . . 0.0 113.004 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -49.87 -46.75 51.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.021 -173.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -66.68 -19.03 65.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.863 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.96 -3.16 15.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.657 0.265 . . . . 0.0 111.126 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -72.51 -42.01 65.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.194 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 m -61.98 -44.36 96.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.275 0.56 . . . . 0.0 110.04 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.69 -36.5 82.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.584 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.95 -44.43 80.61 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.761 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.0 tttm -56.63 -40.16 74.9 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.167 0.292 . . . . 0.0 110.814 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.27 97.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.014 0.435 . . . . 0.0 110.649 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.597 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -64.3 -47.22 80.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.392 177.31 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.522 HD11 HG21 ' A' ' 45' ' ' VAL . 88.9 mt -60.88 -51.18 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.967 -176.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -65.37 -29.23 69.93 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.611 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.49 -40.73 76.85 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 88.9 mt -64.31 -38.95 92.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.392 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -66.6 -36.49 82.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 177.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -66.77 -31.2 71.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.031 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -64.98 -41.33 95.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 174.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.5 -11.94 60.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.507 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 63.54 38.96 9.36 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.096 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -128.78 166.15 19.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.93 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.488 ' HA ' HD21 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -98.76 -12.61 20.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 0.0 111.337 -176.7 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.536 HG12 ' HD3' ' A' ' 4' ' ' ARG . 45.9 mt -105.32 125.79 60.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.331 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.525 HG23 ' HA ' ' A' ' 5' ' ' TRP . 10.5 m -92.54 141.0 15.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.4 p -103.92 159.68 28.52 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.077 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.83 -25.25 75.7 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.259 1.972 . . . . 0.0 111.005 175.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.61 -47.96 82.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.683 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -69.24 -35.99 76.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.779 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.522 HG21 HD11 ' A' ' 28' ' ' ILE . 42.3 t -63.65 -46.0 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 0.0 110.058 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -62.89 -44.06 97.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.76 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 53.9 tp60 -55.01 -47.27 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.698 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.33 79.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.152 0.501 . . . . 0.0 110.931 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HD2' HG12 ' A' ' 16' ' ' ILE . 1.5 tpm_? -68.9 -38.9 79.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.657 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -39.7 94.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.892 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 9.1 mm-40 -52.68 -51.68 59.21 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.237 178.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.008 0.432 . . . . 0.0 110.741 -178.411 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.447 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 86.2 mt . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' A' ' 4' ' ' ARG . 19.1 ttt-85 -74.14 101.76 4.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.554 ' HA ' HG21 ' A' ' 40' ' ' VAL . 50.3 m95 -82.18 124.4 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.483 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.0 p -69.71 160.14 32.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.928 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -60.91 -36.37 79.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.473 0.654 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.51 -39.95 77.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.839 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.459 ' HB1' HG23 ' A' ' 45' ' ' VAL . . . -61.85 -46.92 87.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.799 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 63.7 mttm -55.01 -44.94 75.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.797 175.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.7 m -65.64 -42.05 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -63.12 -38.0 89.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.836 0.35 . . . . 0.0 110.577 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.627 HD11 HD11 ' A' ' 16' ' ' ILE . 53.7 tp -64.43 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.839 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 98.4 mttt -72.09 -13.66 61.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.086 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -83.11 -15.5 50.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.953 0.406 . . . . 0.0 110.514 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.627 HD11 HD11 ' A' ' 13' ' ' LEU . 67.4 mt -84.51 127.2 66.72 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.953 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.55 149.5 30.96 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.071 2.514 . . . . 0.0 112.698 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.05 -39.16 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.403 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.97 -27.95 63.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.474 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.23 9.14 13.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.326 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -59.12 -53.13 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -74.68 -29.45 61.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.09 -51.22 48.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.353 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.512 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.81 -41.06 99.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.489 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.5 tttm -54.11 -44.9 71.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.769 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.47 94.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.639 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.48 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 17.9 ttm180 -69.39 -38.86 78.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.28 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 24' ' ' ALA . 93.4 mt -59.01 -47.43 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.405 . . . . 0.0 110.897 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -71.18 -22.78 61.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.897 0.379 . . . . 0.0 110.781 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -50.06 37.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 172.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 75.3 mt -57.42 -39.83 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.013 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' HB1' HG12 ' A' ' 40' ' ' VAL . . . -61.1 -44.69 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -65.34 -36.22 83.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.979 0.419 . . . . 0.0 110.531 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.69 -35.61 81.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.98 -2.89 58.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.632 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 63.81 37.05 10.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.206 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -118.42 139.09 51.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.067 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 7.2 m-20 -92.25 -12.39 32.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.892 0.853 . . . . 0.0 109.108 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -111.09 109.48 28.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.247 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 5' ' ' TRP . 18.4 m -77.2 128.12 38.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.691 0.758 . . . . 0.0 110.037 -176.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.5 p -89.99 154.34 47.41 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.14 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.82 -23.67 68.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.565 2.176 . . . . 0.0 111.681 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.76 -49.5 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.029 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.08 -36.71 82.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.206 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG23 ' HB1' ' A' ' 9' ' ' ALA . 61.4 t -64.16 -46.32 93.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.79 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -69.31 -38.4 78.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.227 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -54.42 -47.64 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.046 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.82 -30.59 71.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -66.43 -31.51 72.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 50' ' ' LEU . 3.3 mm? -82.0 -25.35 34.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.438 178.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -56.24 -51.88 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.414 0.626 . . . . 0.0 109.563 171.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.823 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 79.1 mt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.503 0.192 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.437 ' HB3' HD13 ' A' ' 39' ' ' ILE . 38.2 ttt180 -85.19 122.25 29.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 0.0 110.398 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.576 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 63.6 m95 -96.46 127.34 42.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.635 -178.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.1 p -66.95 158.67 30.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 171.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p -56.91 -39.95 75.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.917 0.389 . . . . 0.0 110.956 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -67.13 -41.49 86.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.316 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB1' HG23 ' A' ' 45' ' ' VAL . . . -61.74 -40.16 94.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.881 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 6' ' ' THR . 94.3 mttt -62.86 -42.19 99.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.416 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 m -64.46 -45.16 88.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.502 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -63.64 -35.23 79.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.37 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 16' ' ' ILE . 36.9 tp -63.94 -32.91 74.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.195 0.522 . . . . 0.0 109.841 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -73.52 -9.2 58.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.293 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.52 -23.55 42.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.017 0.437 . . . . 0.0 109.9 175.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.48 HG12 ' HD3' ' A' ' 49' ' ' ARG . 28.0 mt -83.45 128.16 65.37 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.862 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.6 142.39 49.76 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.959 2.439 . . . . 0.0 111.975 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -57.31 -27.74 62.44 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.552 -174.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.27 -32.26 73.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.389 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.1 -5.72 10.94 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -174.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -64.12 -43.64 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -173.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 t -71.03 -37.17 72.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.353 0.597 . . . . 0.0 110.175 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -69.14 -39.63 78.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.356 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.541 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.47 -39.11 85.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.448 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 57.0 tttm -57.61 -43.82 84.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.769 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.36 84.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.982 0.42 . . . . 0.0 110.45 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 21.9 tpt180 -64.8 -44.65 89.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.379 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 24' ' ' ALA . 76.2 mt -59.76 -48.94 85.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -56.73 -39.58 74.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 21.9 tt0 -69.83 -39.89 76.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.399 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 89.6 mt -62.66 -38.62 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -65.95 -35.24 80.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -67.99 -29.18 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.527 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 21.6 mt-30 -76.08 -29.89 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.116 0.484 . . . . 0.0 110.151 176.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.01 -9.69 59.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.526 171.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 63.75 47.41 3.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.223 175.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -148.6 163.11 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.925 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.487 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 26.7 m-20 -100.81 -0.69 36.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.072 0.463 . . . . 0.0 110.32 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.437 HD13 ' HB3' ' A' ' 4' ' ' ARG . 37.7 mm -100.32 123.38 53.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.726 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.53 HG23 ' HA ' ' A' ' 5' ' ' TRP . 17.1 m -98.05 131.8 44.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.303 0.573 . . . . 0.0 110.074 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.7 p -95.63 162.1 25.45 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 176.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.7 Cg_endo -58.1 -24.33 65.67 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.319 2.012 . . . . 0.0 111.316 177.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.18 -56.31 23.77 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.451 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.95 -38.7 89.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.4 HG23 ' HB1' ' A' ' 9' ' ' ALA . 62.1 t -61.16 -47.94 91.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.547 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -71.92 -38.6 69.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.711 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -54.86 -43.49 73.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.656 0.265 . . . . 0.0 110.508 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -69.25 -32.03 70.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.702 178.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.48 ' HD3' HG12 ' A' ' 16' ' ' ILE . 24.6 ttp180 -68.05 -33.54 74.77 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 50' ' ' LEU . 2.7 mm? -74.82 -28.26 60.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.018 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 12.1 mm-40 -54.91 -51.85 64.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.671 0.748 . . . . 0.0 109.208 172.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.428 -178.266 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.861 0.362 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -86.74 109.37 19.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.345 0.593 . . . . 0.0 110.433 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.583 ' HA ' HG23 ' A' ' 40' ' ' VAL . 45.3 m95 -92.42 127.71 38.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.878 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.5 p -72.9 153.48 40.99 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.3 m -59.36 -33.12 70.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.225 0.536 . . . . 0.0 110.135 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.36 -44.81 82.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.434 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -62.87 -45.38 92.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.938 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 64.0 mtpt -57.05 -40.14 76.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 m -67.34 -44.08 79.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.679 0.276 . . . . 0.0 110.538 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -57.72 -38.87 76.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.607 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.628 HD11 HD13 ' A' ' 16' ' ' ILE . 52.1 tp -64.76 -33.98 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.878 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 96.9 mttt -71.19 -17.1 62.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -82.68 -13.2 56.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.547 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.628 HD13 HD11 ' A' ' 13' ' ' LEU . 56.6 mt -84.57 133.13 44.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.261 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.35 139.1 22.77 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.393 2.729 . . . . 0.0 112.815 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -48.11 -40.04 22.28 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -72.75 -45.34 59.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -176.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.92 -11.35 57.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.346 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 21' ' ' ARG . 24.9 ttp180 -62.17 -37.0 83.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.674 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 t -71.52 -39.26 70.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.083 0.468 . . . . 0.0 110.104 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -70.15 -41.34 73.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.474 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.8 -48.57 78.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.56 177.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.7 tttm -51.84 -43.27 63.13 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.448 0.467 . . . . 0.0 110.71 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.99 78.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.978 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.451 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 60.1 ttt180 -72.69 -35.86 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.189 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 24' ' ' ALA . 90.5 mt -59.12 -50.75 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.913 0.387 . . . . 0.0 110.984 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.16 -26.3 63.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.048 0.451 . . . . 0.0 110.568 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.497 ' CA ' HE21 ' A' ' 30' ' ' GLN . 0.0 OUTLIER -68.63 -41.4 79.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.07 174.228 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 67.0 mt -60.56 -41.6 94.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.799 178.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.52 ' HB3' HG12 ' A' ' 40' ' ' VAL . . . -65.49 -35.27 80.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 33' ' ' ARG . 19.8 mtp180 -74.97 -26.16 59.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.205 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.432 HE21 ' HB3' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -69.43 -30.55 68.51 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 173.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.0 -11.31 53.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.295 173.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.59 45.0 3.71 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.45 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -132.52 159.69 38.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.686 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.21 -15.56 31.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.849 0.357 . . . . 0.0 111.354 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 58.5 mt -101.49 132.33 47.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.746 -173.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.583 HG23 ' HA ' ' A' ' 5' ' ' TRP . 13.8 m -101.43 130.35 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.407 0.622 . . . . 0.0 109.361 173.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.8 p -94.33 159.11 34.63 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.838 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.97 -23.64 52.89 Favored 'Trans proline' 0 CA--C 1.528 0.205 0 C-N-CA 122.409 2.073 . . . . 0.0 111.69 177.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.31 -55.59 32.83 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.928 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.6 -39.88 94.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.449 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.482 HG21 ' HB1' ' A' ' 9' ' ' ALA . 61.3 t -60.37 -48.4 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.038 0.447 . . . . 0.0 110.806 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -70.5 -40.99 73.23 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.039 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 60.9 tp60 -55.28 -47.84 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.419 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.29 80.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.636 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -66.35 -36.35 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.65 -41.34 68.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.163 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 79.9 mm-40 -52.6 -51.69 58.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 176.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 66.9 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.702 0.287 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -104.52 160.45 14.93 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.2 178.44 4.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.986 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -83.91 112.34 20.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.023 0.44 . . . . 0.0 110.388 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 48.5 m95 -92.13 124.18 36.02 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.551 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.2 p -70.92 157.42 38.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.91 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.1 m -57.06 -39.12 74.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.816 0.341 . . . . 0.0 110.772 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.19 -40.73 86.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.572 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.97 98.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.718 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 59.5 mtpt -54.47 -46.54 73.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.846 175.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.7 m -64.17 -41.5 97.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.917 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -62.81 -38.89 92.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.359 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.9 -34.78 78.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 110.342 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 59.5 mttm -68.51 -28.91 67.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.111 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -75.18 -13.02 60.42 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.967 0.413 . . . . 0.0 111.079 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.9 mt -83.91 138.92 40.03 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.847 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.43 136.18 68.6 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.778 2.318 . . . . 0.0 112.39 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.36 -35.66 70.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.11 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -61.54 -29.13 69.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.812 0.339 . . . . 0.0 111.496 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.68 13.84 14.3 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -71.54 -43.14 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.61 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -61.18 -43.26 99.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.518 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 21.8 tp60 -56.95 -50.5 72.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.641 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -65.01 -44.59 88.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.404 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.2 tttm -54.93 -43.63 73.54 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.806 0.336 . . . . 0.0 110.727 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.18 93.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.37 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 26.5 mmm180 -66.79 -49.19 66.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.882 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.51 HD12 HG22 ' A' ' 45' ' ' VAL . 76.6 mt -56.75 -50.26 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.604 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 59.3 mt-10 -68.06 -30.67 69.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 -177.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.11 -35.47 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.071 0.463 . . . . 0.0 109.998 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 28' ' ' ILE . 61.6 mt -63.9 -38.45 91.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.048 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.509 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -61.9 -36.87 82.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.686 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -72.34 -26.14 61.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.006 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -67.88 -26.53 66.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.15 -4.51 27.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.105 176.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 56.54 41.96 27.9 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.983 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -110.6 145.17 38.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.469 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -89.31 -13.53 37.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.359 0.599 . . . . 0.0 109.757 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.1 mt -115.92 128.69 73.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.019 -175.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.509 HG11 ' HB1' ' A' ' 32' ' ' ALA . 13.2 m -95.61 135.5 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.284 0.564 . . . . 0.0 110.343 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.456 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 69.7 p -97.13 161.81 24.93 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.798 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 20.4 Cg_endo -61.14 -18.56 58.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.392 2.062 . . . . 0.0 111.555 175.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -70.49 -39.21 74.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.29 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.02 -41.42 86.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.51 HG22 HD12 ' A' ' 28' ' ' ILE . 44.6 t -60.75 -43.0 94.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.35 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' OE2' ' HD3' ' A' ' 49' ' ' ARG . 7.1 tp10 -62.25 -44.18 97.14 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.925 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -52.5 -48.89 65.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.615 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.41 80.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.349 0.595 . . . . 0.0 110.817 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HD3' ' OE2' ' A' ' 46' ' ' GLU . 30.5 ttt-85 -71.11 -36.45 72.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.533 0.683 . . . . 0.0 109.965 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -73.12 -42.73 62.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.708 -177.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.94 -38.84 89.96 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.571 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CZ ' ' HG3' ' A' ' 27' ' ' ARG . 22.0 m-30 -68.17 -32.64 73.04 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.852 0.358 . . . . 0.0 110.52 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.22 -37.75 86.99 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.953 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 50' ' ' LEU . 21.5 mt-30 -73.48 -36.51 65.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -177.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -85.32 -4.58 59.21 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.808 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.04 105.84 7.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.149 0.499 . . . . 0.0 111.117 -178.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -110.9 33.18 4.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.825 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 82.9 t60 71.42 -71.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.415 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -81.95 86.3 6.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 122.008 0.909 . . . . 0.0 110.36 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -85.42 62.51 7.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.051 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -178.96 177.36 0.83 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.346 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.0 p80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.108 176.825 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 121.088 0.471 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -138.39 159.05 43.07 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 69.9 mt -105.05 178.66 4.5 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.738 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -90.59 114.17 26.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.716 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.601 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -94.76 131.01 41.05 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.753 -176.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 53.9 p -78.56 162.85 26.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 p -57.87 -35.44 70.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.961 0.41 . . . . 0.0 111.16 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 1.6 mp0 -68.17 -47.16 68.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.876 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.255 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 6' ' ' THR . 54.6 mtpt -63.06 -38.48 91.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.422 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.2 m -70.99 -41.43 70.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.991 0.424 . . . . 0.0 110.604 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -57.8 -43.13 85.44 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.53 -40.68 97.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.101 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.82 -13.75 62.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.991 0.424 . . . . 0.0 111.091 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -88.49 -3.25 58.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.907 0.384 . . . . 0.0 110.535 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.551 HG12 ' HD3' ' A' ' 49' ' ' ARG . 40.9 mt -95.57 137.21 22.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.16 134.37 43.58 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.906 2.404 . . . . 0.0 112.285 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.12 -38.72 73.85 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.96 -173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -64.21 -15.73 60.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.322 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.35 -0.11 11.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -69.01 -40.84 78.43 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -63.23 -37.96 89.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.367 0.603 . . . . 0.0 110.115 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' A' ' 23' ' ' GLN . 6.6 tt0 -74.12 -42.84 59.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.832 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.483 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.95 -43.57 82.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.601 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 66.1 tttm -56.2 -44.35 79.36 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.591 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.28 -44.3 83.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.473 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 22.7 ttm-85 -66.67 -46.54 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.212 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.7 mt -56.15 -49.14 77.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 111.178 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.23 -26.02 62.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.98 -38.21 72.75 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.758 0.313 . . . . 0.0 110.411 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 70.4 mt -62.14 -42.58 99.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 110.318 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -67.56 -43.15 81.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.048 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ARG . 27.5 mmt180 -67.36 -19.69 65.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -68.22 -40.42 82.11 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.91 -9.97 59.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.291 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 63.16 35.1 13.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.971 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 4.6 pt20 -104.76 146.56 28.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.687 177.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.403 ' HA ' HD21 ' A' ' 3' ' ' LEU . 7.2 m-20 -91.74 -6.93 51.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.016 0.436 . . . . 0.0 110.503 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -118.3 129.93 73.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.035 -176.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.45 HG11 ' HB2' ' A' ' 32' ' ' ALA . 23.1 m -96.65 135.11 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.048 0.452 . . . . 0.0 110.332 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.458 ' OG1' HD13 ' A' ' 44' ' ' LEU . 4.6 p -96.34 157.26 35.82 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.643 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.91 -31.4 81.43 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 123.096 2.53 . . . . 0.0 112.912 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -70.31 -30.68 67.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.827 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 HD13 ' OG1' ' A' ' 41' ' ' THR . 9.0 mp -68.85 -39.68 79.76 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 175.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.5 t -62.66 -43.61 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.879 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.518 ' CD ' HH21 ' A' ' 49' ' ' ARG . 10.5 tp10 -60.92 -47.61 85.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.236 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.522 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -57.14 -38.61 73.76 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.708 -178.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.72 97.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.219 0.533 . . . . 0.0 110.379 176.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.551 ' HD3' HG12 ' A' ' 16' ' ' ILE . 38.7 ttp180 -73.43 -26.18 60.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.175 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -45.83 80.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.417 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 34.9 mm-40 -54.84 -55.27 32.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.354 177.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -65.79 -29.87 70.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.52 -5.39 77.94 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.718 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -109.94 -43.22 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.79 0.328 . . . . 0.0 110.693 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.05 -42.69 94.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.972 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -79.05 -72.62 0.38 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.917 0.389 . . . . 0.0 109.986 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -140.27 112.85 7.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.249 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -46.83 129.26 11.53 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.835 0.71 . . . . 0.0 110.49 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -53.88 107.71 0.29 Allowed 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 123.557 0.536 . . . . 0.0 110.701 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -113.2 79.96 1.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.847 0.832 . . . . 0.0 110.815 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -100.3 127.22 46.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.633 177.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.6 m80 . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.119 177.126 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.785 0.326 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -148.85 147.86 29.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.41 HD11 ' HG3' ' A' ' 33' ' ' ARG . 48.6 mt -100.12 175.37 5.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.837 0.351 . . . . 0.0 110.338 176.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.21 113.0 21.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.322 0.582 . . . . 0.0 110.51 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.667 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 43.6 m95 -94.05 123.84 37.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.977 -178.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.0 p -69.13 159.29 33.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.104 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -35.99 71.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.137 0.494 . . . . 0.0 111.058 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -71.26 -42.63 68.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.13 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.49 89.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.327 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 58.8 mtpt -59.66 -38.67 82.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.0 m -65.3 -42.93 92.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -66.01 -33.47 75.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.723 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD13 HD13 ' A' ' 16' ' ' ILE . 34.8 tp -64.09 -34.58 78.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.259 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 96.5 mttt -66.95 -21.12 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.102 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -77.86 -11.98 59.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.081 0.467 . . . . 0.0 110.456 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.499 HD13 HD13 ' A' ' 13' ' ' LEU . 27.7 mt -89.9 133.34 34.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.213 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.26 137.03 14.48 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.145 2.564 . . . . 0.0 112.331 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -51.84 -47.99 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -70.5 -28.5 65.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 111.84 -174.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.08 -7.16 33.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.885 0.374 . . . . 0.0 110.97 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 38.3 ttm180 -65.18 -42.15 93.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.284 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.6 t -64.93 -36.38 84.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.268 0.556 . . . . 0.0 110.021 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.4 -44.05 63.05 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.436 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.507 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -63.82 -42.12 97.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.291 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.667 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 60.7 tttm -52.99 -44.17 67.01 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 123.318 0.386 . . . . 0.0 110.841 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' A' ' 30' ' ' GLN . . . -56.7 -46.94 80.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.448 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.549 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 45.7 mtp85 -67.72 -42.86 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.918 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 24' ' ' ALA . 74.8 mt -56.64 -47.21 82.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.063 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 87.4 mt-10 -66.03 -37.61 86.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.715 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 79.7 mt-30 -62.17 -35.37 78.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.463 176.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 95.3 mt -64.52 -38.76 92.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.585 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.18 68.26 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.027 0.442 . . . . 0.0 110.602 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 83.0 mtt180 -63.5 -32.34 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.707 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -65.52 -36.66 84.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.19 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.11 -5.41 58.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.04 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 70.45 43.44 0.8 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.526 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -137.91 155.37 49.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.005 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.4 -2.08 55.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.064 0.459 . . . . 0.0 110.623 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -110.76 132.0 60.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.412 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 5' ' ' TRP . 21.3 m -97.45 138.15 23.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.319 0.581 . . . . 0.0 110.045 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 p -103.3 156.49 35.35 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.457 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.42 -37.29 97.41 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.268 2.645 . . . . 0.0 114.295 -172.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -77.07 -24.87 51.86 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.663 -175.489 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.99 -36.99 78.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.22 0.534 . . . . 0.0 109.715 172.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 28' ' ' ILE . 91.1 t -61.18 -51.04 77.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.942 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.57 -22.79 58.81 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.533 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -63.03 -41.64 99.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.93 73.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.027 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.4 ttt-85 -71.48 -28.74 64.14 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -42.31 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.417 177.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.594 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 37.7 mt-10 -58.18 -50.87 72.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.886 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -71.94 -24.4 61.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.675 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.46 -29.37 75.06 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.682 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.873 HE21 ' HA ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -89.25 -30.09 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.729 0.299 . . . . 0.0 110.52 177.011 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 79.4 mt -74.35 -23.74 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.345 178.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 57' ' ' HIS . 10.1 mm-40 65.57 62.29 0.66 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.99 173.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 14.8 m170 71.52 -56.2 0.64 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.37 0.668 . . . . 0.0 111.393 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -145.51 138.06 25.86 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.425 ' CD2' HD22 ' A' ' 55' ' ' LEU . 27.0 m170 -43.65 103.04 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.101 0.875 . . . . 0.0 111.449 -177.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -78.74 -75.4 0.23 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.147 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -113.54 -7.99 13.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.174 0.511 . . . . 0.0 109.671 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.174 177.375 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptp . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.595 0.236 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -102.21 134.6 45.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.4 mt -109.42 -179.83 3.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.818 0.342 . . . . 0.0 111.373 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.51 ' HD3' HG12 ' A' ' 39' ' ' ILE . 38.3 ttt85 -77.62 116.23 18.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.964 0.411 . . . . 0.0 110.539 178.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.675 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.7 m95 -96.41 129.7 43.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.664 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 40.1 p -73.88 156.7 37.42 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.503 175.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -60.5 -31.96 70.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.119 0.485 . . . . 0.0 110.711 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -68.14 -44.23 76.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.968 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.97 99.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.913 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 6' ' ' THR . 97.0 mttt -55.02 -47.19 75.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 110.602 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -63.0 -38.7 92.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.875 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.31 -38.52 87.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.932 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.87 -37.43 86.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.252 0.549 . . . . 0.0 110.07 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -70.27 -20.11 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.33 175.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -77.74 -17.97 57.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.824 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.586 HG12 ' HG3' ' A' ' 49' ' ' ARG . 47.3 mt -86.97 136.51 34.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.662 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.91 136.06 65.17 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.533 2.155 . . . . 0.0 111.546 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.546 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 63.3 t80 -51.04 -35.02 32.15 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.781 0.432 . . . . 0.0 111.674 -178.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -57.43 -31.1 65.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.629 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.13 5.87 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.546 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 6.0 mtm180 -64.24 -49.14 73.08 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.251 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 m -61.96 -43.84 98.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.42 . . . . 0.0 110.665 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.48 -49.4 76.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.431 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -61.77 -47.71 83.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.737 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.675 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 66.0 tttm -51.97 -44.85 64.19 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.474 0.484 . . . . 0.0 110.964 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.77 91.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.995 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.553 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 43.0 ttt180 -75.86 -35.9 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.003 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 24' ' ' ALA . 94.0 mt -59.21 -53.17 51.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.12 0.486 . . . . 0.0 110.779 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 49.3 mt-10 -69.79 -24.11 63.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.298 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -69.66 -40.83 76.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.954 0.407 . . . . 0.0 110.029 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 81.3 mt -64.85 -33.11 75.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.486 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -66.72 -36.8 83.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.16 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 36.7 mmt180 -66.02 -36.63 83.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.245 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -61.3 -40.76 95.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.516 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.25 -12.0 59.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.448 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 67.48 37.2 3.51 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.247 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -126.08 146.69 49.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.665 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.9 15.62 16.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.217 0.532 . . . . 0.0 110.64 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.51 HG12 ' HD3' ' A' ' 4' ' ' ARG . 66.5 mt -126.94 135.5 63.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.536 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.493 HG13 ' HB1' ' A' ' 32' ' ' ALA . 20.2 m -103.25 138.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.239 0.542 . . . . 0.0 110.679 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.419 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 34.8 p -97.07 159.25 31.82 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.229 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.419 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.4 Cg_endo -60.41 -32.06 93.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.407 2.072 . . . . 0.0 112.007 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.09 -25.77 58.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.89 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.44 -41.66 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.117 0.484 . . . . 0.0 109.827 172.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.431 HG22 HD11 ' A' ' 28' ' ' ILE . 40.1 t -63.77 -42.6 96.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.648 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.513 ' CD ' HH12 ' A' ' 49' ' ' ARG . 51.8 tp10 -55.07 -57.28 12.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.966 174.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.514 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 58.4 tp60 -55.03 -47.17 75.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.347 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.3 82.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.673 0.273 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.586 ' HG3' HG12 ' A' ' 16' ' ' ILE . 1.1 tmm_? -76.57 -23.85 53.54 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -41.01 62.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.472 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 78.2 mm-40 -53.07 -54.42 35.81 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.776 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -71.43 -24.98 62.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.739 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.53 97.46 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 175.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -74.24 -34.38 63.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.394 . . . . 0.0 111.021 176.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 95.1 mt -68.13 -35.27 77.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -93.01 8.45 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.546 0.689 . . . . 0.0 110.087 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -84.96 114.56 22.24 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -92.75 122.69 35.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.861 -175.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -140.87 -78.16 0.29 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.09 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 16.1 p80 -142.25 24.82 1.93 Allowed 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 60' ' ' HIS . 52.1 m-70 64.02 -159.82 0.3 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.808 174.227 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.959 0.409 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -134.42 129.36 35.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.421 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.5 mt -85.47 -179.2 6.88 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.466 ' HD2' HG12 ' A' ' 39' ' ' ILE . 71.9 mtt180 -84.37 117.25 23.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.031 0.443 . . . . 0.0 109.842 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.555 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 47.7 m95 -99.6 125.26 45.38 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.888 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.8 p -71.85 157.96 36.93 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -57.95 -41.5 82.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.452 0.644 . . . . 0.0 109.956 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -60.93 -44.06 97.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.62 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.42 90.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.274 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 55.8 mtpt -57.65 -43.16 84.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.057 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.8 m -67.37 -39.37 85.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -63.65 -39.5 94.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.028 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.582 HD11 HD13 ' A' ' 16' ' ' ILE . 46.1 tp -60.52 -36.22 77.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.117 0.484 . . . . 0.0 110.495 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 97.5 mttt -69.22 -15.01 63.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.468 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -92.87 3.17 56.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.021 0.439 . . . . 0.0 110.83 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.582 HD13 HD11 ' A' ' 13' ' ' LEU . 56.8 mt -95.95 133.27 25.56 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.776 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -52.69 134.96 55.52 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.818 2.345 . . . . 0.0 111.676 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -53.18 -44.99 68.32 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -171.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -58.05 -27.62 63.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.51 9.22 13.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.975 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -72.72 -50.38 25.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.864 0.364 . . . . 0.0 110.698 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 m -66.55 -27.73 67.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.103 0.478 . . . . 0.0 110.157 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.409 HE21 ' HA ' ' A' ' 23' ' ' GLN . 0.1 OUTLIER -72.96 -46.5 52.04 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.763 177.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.587 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -60.18 -43.16 96.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.224 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.555 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 63.7 tttm -51.3 -48.17 62.38 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.444 0.465 . . . . 0.0 110.985 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.8 -36.9 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.598 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 15.8 ttm180 -76.9 -38.03 54.32 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.869 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 24' ' ' ALA . 86.6 mt -58.34 -52.87 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.051 0.453 . . . . 0.0 110.699 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.02 -28.64 67.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.403 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -65.11 -44.16 89.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.229 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 83.8 mt -65.26 -31.91 73.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.779 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.498 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -66.41 -36.26 82.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.745 176.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -62.75 -37.48 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.308 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -71.49 -32.34 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.366 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.5 -4.61 54.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.98 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 64.78 35.29 8.79 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.908 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -133.92 143.52 48.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -86.5 -9.2 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.494 0.664 . . . . 0.0 109.971 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 HG12 ' HD2' ' A' ' 4' ' ' ARG . 45.6 mt -110.03 132.94 56.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.682 -177.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.498 HG11 ' HB1' ' A' ' 32' ' ' ALA . 14.3 m -98.61 135.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.363 0.601 . . . . 0.0 110.457 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.51 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 24.9 p -99.27 161.24 25.32 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.018 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.51 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 17.9 Cg_endo -59.08 -23.18 67.7 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.555 2.17 . . . . 0.0 111.961 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.09 -42.4 80.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.273 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 HD12 ' OG1' ' A' ' 41' ' ' THR . 10.8 mp -66.58 -39.38 88.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.144 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.47 HG21 HD12 ' A' ' 28' ' ' ILE . 47.0 t -61.99 -45.1 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.199 0.523 . . . . 0.0 110.165 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.73 -53.64 56.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.084 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -52.91 -47.56 67.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.567 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -63.71 -34.54 78.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.625 0.25 . . . . 0.0 111.203 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.546 ' HD3' HG12 ' A' ' 16' ' ' ILE . 40.2 ttp180 -69.33 -39.71 78.02 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.888 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 50' ' ' LEU . 3.1 mm? -73.27 -27.1 61.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.09 178.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 64.3 mm-40 -54.32 -53.21 56.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -78.96 -23.99 44.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.725 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.18 -38.17 93.63 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.987 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -90.31 -29.49 18.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.563 0.22 . . . . 0.0 111.323 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -76.27 -72.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.49 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.574 ' CD ' ' H ' ' A' ' 57' ' ' HIS . 2.2 tm-20 53.55 -145.56 0.59 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -178.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 33.7 t-80 53.51 58.55 5.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 111.174 176.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -62.35 109.26 1.29 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -105.92 113.34 26.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 57.01 33.37 23.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.579 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -77.48 -29.71 52.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 t60 . . . . . 0 C--O 1.245 0.823 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.057 173.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.659 0.266 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -152.32 172.59 16.23 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.2 mt -116.15 -179.47 3.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.128 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -88.15 131.4 34.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.917 0.389 . . . . 0.0 110.333 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.636 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -109.18 131.1 55.39 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -175.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 p -71.58 159.34 34.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.953 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.3 m -56.14 -41.06 74.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.28 0.562 . . . . 0.0 110.32 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -65.38 -45.44 84.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.65 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.0 90.95 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 64.9 mttm -55.71 -48.39 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m -60.7 -44.51 96.47 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.525 ' HG3' ' CB ' ' A' ' 42' ' ' PRO . 1.5 mmmm -66.56 -32.96 74.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.421 -178.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 16' ' ' ILE . 59.3 tp -64.65 -35.42 80.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.998 0.427 . . . . 0.0 110.249 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 94.7 mttt -70.18 -16.38 63.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.48 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -82.25 -15.59 52.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.198 0.523 . . . . 0.0 110.25 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.564 HD11 HD11 ' A' ' 13' ' ' LEU . 59.2 mt -81.53 134.4 51.22 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.69 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.34 130.1 36.82 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.486 2.124 . . . . 0.0 111.523 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 92.1 t80 -52.23 -38.24 57.5 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.326 0.391 . . . . 0.0 111.996 -175.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -57.65 -27.73 63.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 111.24 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.57 8.19 11.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.382 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 8.7 mtm180 -66.06 -46.33 78.17 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.433 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -61.75 -41.02 97.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.204 0.526 . . . . 0.0 110.36 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -66.65 -48.29 69.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.703 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.588 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.6 -48.02 81.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.636 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 52.6 tttm -55.58 -39.64 70.96 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.468 0.48 . . . . 0.0 110.896 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.13 80.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.474 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.567 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 15.3 ttm180 -73.29 -39.75 65.09 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.133 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 24' ' ' ALA . 85.3 mt -54.3 -48.51 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.997 0.427 . . . . 0.0 111.091 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -71.8 -29.73 64.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.863 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -68.88 -37.66 79.17 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.828 0.347 . . . . 0.0 110.856 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 84.1 mt -62.29 -37.96 87.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 110.1 177.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.492 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -67.22 -32.83 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.725 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -66.6 -33.71 76.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.069 0.462 . . . . 0.0 109.881 174.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -35.1 79.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.682 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.77 -8.14 56.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.958 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 65.11 29.17 12.11 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.156 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -110.38 143.36 40.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -88.32 -9.69 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.232 0.539 . . . . 0.0 110.067 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.8 mt -112.35 126.6 69.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.098 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 5' ' ' TRP . 19.6 m -93.47 142.79 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.163 0.506 . . . . 0.0 110.759 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 29.1 p -104.51 159.81 28.1 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.977 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.525 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 21.4 Cg_endo -59.14 -22.98 67.04 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.835 2.356 . . . . 0.0 112.196 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -64.04 -51.8 62.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.173 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.41 -35.07 79.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.665 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.32 -52.24 63.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.108 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.57 -33.29 62.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.461 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 25.4 tp60 -53.69 -50.59 65.53 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.609 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.06 -31.53 72.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.048 0.451 . . . . 0.0 110.626 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.552 ' HG3' HG12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.07 -38.31 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.682 -178.106 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -40.25 78.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.945 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 47' ' ' GLN . 50.0 mt-10 -56.82 -48.65 77.53 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.435 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 45.1 m-85 -72.95 -18.6 61.37 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.149 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.8 -29.81 75.87 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 172.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -93.86 -43.37 8.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.784 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 74.7 mt -78.16 5.92 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.365 -174.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -69.15 86.23 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.333 0.587 . . . . 0.0 109.523 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -72.0 114.28 9.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.533 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 61.33 -100.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.531 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.9 m170 65.2 -66.91 0.13 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.768 0.427 . . . . 0.0 111.271 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -78.88 126.97 31.41 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.244 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -87.53 107.27 18.5 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--O 1.246 0.895 0 O-C-N 123.853 0.72 . . . . 0.0 109.811 -176.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mmt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -95.13 145.57 24.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.815 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.7 mt -89.69 178.28 6.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.834 0.35 . . . . 0.0 110.428 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' HD3' HG12 ' A' ' 39' ' ' ILE . 37.5 ttt180 -81.82 107.74 14.79 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.558 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 48.1 m95 -90.09 124.03 34.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p -70.24 161.29 30.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.766 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.5 t -61.14 -36.99 81.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.066 0.46 . . . . 0.0 109.931 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -65.62 -44.32 86.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.27 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.27 -45.63 93.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.834 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -58.03 -41.08 82.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.618 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -63.88 -48.5 76.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.683 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -64.29 -35.7 81.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.662 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.53 -32.23 73.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 110.154 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -76.34 -4.39 41.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.238 177.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.53 -8.38 50.47 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.299 0.571 . . . . 0.0 109.603 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.6 mt -97.25 124.89 47.62 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.156 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -52.12 133.56 47.3 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.847 2.365 . . . . 0.0 111.82 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.43 ' HA ' ' HB3' ' A' ' 21' ' ' ARG . 53.1 p90 -57.43 -27.0 62.02 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.88 -35.25 76.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.959 0.409 . . . . 0.0 110.991 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.18 -5.94 13.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.019 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' PHE . 59.4 ttt180 -64.12 -37.07 86.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.41 -176.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.8 p -63.97 -44.55 92.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.198 0.523 . . . . 0.0 110.252 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.15 -43.69 86.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.274 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.527 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -64.28 -43.05 96.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.282 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 63.5 tttm -56.13 -43.99 78.75 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.175 0.297 . . . . 0.0 110.672 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.94 86.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.599 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 19.4 tpt180 -70.08 -45.5 66.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.854 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.0 mt -56.17 -51.56 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 111.035 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.671 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 56.6 mt-10 -67.77 -32.35 72.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.497 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -65.18 -42.09 94.0 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.984 0.421 . . . . 0.0 110.029 175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 80.6 mt -60.62 -38.67 85.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.28 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -65.75 -40.57 92.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.607 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.671 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 87.4 mtt-85 -60.5 -40.69 92.29 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.38 -39.56 92.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.172 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.24 -6.73 54.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.049 0.452 . . . . 0.0 110.729 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.27 24.87 10.6 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.768 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -110.22 140.06 44.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.611 175.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.64 0.01 57.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.244 0.545 . . . . 0.0 110.215 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.414 HG12 ' HD3' ' A' ' 4' ' ' ARG . 41.8 mt -113.04 133.35 59.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.211 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.514 HG23 ' HA ' ' A' ' 5' ' ' TRP . 20.1 m -98.29 134.64 36.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.359 0.6 . . . . 0.0 110.339 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -100.87 155.36 36.41 Favored Pre-proline 0 C--N 1.313 -0.979 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.213 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.12 -30.98 94.61 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.928 2.418 . . . . 0.0 113.65 -173.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -24.09 51.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.603 0.239 . . . . 0.0 111.358 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.29 -37.86 68.9 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.076 0.465 . . . . 0.0 109.751 171.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG22 HG23 ' A' ' 28' ' ' ILE . 80.8 t -61.29 -45.4 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.09 175.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -71.2 -35.9 71.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.396 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.521 HE21 ' C ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -54.62 -51.35 65.65 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.661 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.28 70.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.05 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -66.6 -40.99 89.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.571 0.7 . . . . 0.0 109.375 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -29.53 62.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.725 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 44.0 mm-40 -54.99 -51.89 64.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.137 174.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.465 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 85.9 m-85 -73.24 -22.63 60.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.182 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.69 -31.83 81.42 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.603 171.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -88.91 -30.56 18.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.958 0.409 . . . . 0.0 110.653 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 52' ' ' PHE . 96.1 mt -83.15 -2.81 56.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.947 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 102.01 0.93 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.107 0.479 . . . . 0.0 109.861 177.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -104.8 -0.6 27.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.687 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -85.82 -31.36 22.35 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 175.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -102.46 90.07 3.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.812 -1.086 . . . . 0.0 109.199 168.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -145.6 98.86 3.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.828 0.347 . . . . 0.0 111.679 -177.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -160.07 137.15 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 169.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.775 -179.365 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtm . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.913 0.387 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -93.21 155.03 17.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.504 HD11 ' HG3' ' A' ' 33' ' ' ARG . 33.6 mt -96.48 -179.47 4.63 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.029 0.442 . . . . 0.0 111.076 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 39' ' ' ILE . 53.0 mtt180 -92.47 120.16 32.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.838 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.611 ' HB2' ' HZ3' ' A' ' 10' ' ' LYS . 32.7 m95 -103.1 135.31 45.0 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.847 -173.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.1 p -73.74 155.89 38.43 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -57.85 -38.07 75.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.102 0.477 . . . . 0.0 110.849 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -72.29 -33.68 67.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.894 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -39.28 83.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 110.446 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.611 ' HZ3' ' HB2' ' A' ' 5' ' ' TRP . 65.0 mttm -59.92 -44.79 94.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.791 175.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.0 m -61.34 -45.69 93.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.729 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -64.33 -38.51 91.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.399 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.74 -44.73 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.994 0.426 . . . . 0.0 110.256 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -69.46 -12.46 61.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.193 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -79.64 -20.49 46.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.386 0.613 . . . . 0.0 109.552 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.534 HG12 ' HD3' ' A' ' 49' ' ' ARG . 55.3 mt -86.0 133.76 40.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.062 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.6 134.47 53.2 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.057 2.505 . . . . 0.0 112.14 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -47.65 -42.43 24.47 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.594 0.559 . . . . 0.0 112.29 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.28 -33.39 67.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.567 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.12 -0.41 15.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.732 0.301 . . . . 0.0 111.152 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -69.72 -46.18 66.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.989 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -63.81 -37.47 87.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.16 0.505 . . . . 0.0 110.269 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -67.9 -46.71 70.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.616 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.56 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -63.76 -42.59 97.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.349 176.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 47.6 tttm -55.76 -42.39 75.4 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.258 0.349 . . . . 0.0 110.823 177.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.89 79.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 16.3 mtp180 -75.65 -34.28 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.606 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.4 mt -62.78 -52.03 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.972 0.415 . . . . 0.0 110.634 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 42.2 mt-10 -67.44 -25.87 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.622 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.461 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 34.6 tt0 -64.58 -48.2 75.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.221 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 75.6 mt -60.51 -38.73 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.273 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -75.34 -38.26 60.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.467 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.504 ' HG3' HD11 ' A' ' 3' ' ' LEU . 58.5 mtm180 -71.9 -19.69 61.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.038 0.447 . . . . 0.0 110.145 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -74.5 -32.53 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.459 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.52 -6.73 58.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.267 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 63.55 52.6 2.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.184 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.55 170.28 16.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.117 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 8.6 m-20 -96.55 -28.59 14.31 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 -176.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 51.1 mt -102.01 138.99 24.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.267 -171.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 5' ' ' TRP . 12.0 m -106.66 141.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.23 0.538 . . . . 0.0 110.079 176.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.3 p -104.24 155.95 36.48 Favored Pre-proline 0 C--N 1.317 -0.809 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.374 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -51.19 -30.96 34.49 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.844 2.363 . . . . 0.0 112.93 177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -61.5 -43.02 99.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.06 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.67 -35.04 78.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.74 0.305 . . . . 0.0 110.785 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.453 ' HA ' HG12 ' A' ' 28' ' ' ILE . 57.4 t -64.47 -45.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.211 0.529 . . . . 0.0 109.734 175.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' CD ' HH21 ' A' ' 49' ' ' ARG . 8.4 tp10 -59.91 -45.16 93.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.999 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.415 HE21 ' CA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -55.05 -41.07 70.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.774 179.225 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.25 90.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.534 ' HD3' HG12 ' A' ' 16' ' ' ILE . 50.6 ttp180 -74.5 -33.32 62.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -45.45 94.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.79 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.67 -46.46 84.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.115 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -80.4 -10.02 59.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 111.198 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.47 -29.38 63.98 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 168.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -90.79 -13.19 34.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.929 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 3.5 mm? 63.97 50.05 2.63 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.164 -175.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 16.0 mm-40 68.59 117.82 0.03 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.203 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -80.06 -1.18 38.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.732 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 75.33 -46.42 0.58 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.086 176.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -121.32 133.17 55.11 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -149.14 53.84 0.97 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.671 0.748 . . . . 0.0 109.668 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -165.46 -51.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.964 -1.017 . . . . 0.0 108.719 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.6 m80 . . . . . 0 C--O 1.244 0.807 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.654 173.566 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.587 0.232 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -132.0 95.88 3.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 171.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.437 ' O ' ' HD1' ' A' ' 5' ' ' TRP . 52.3 mt -79.39 -178.45 6.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.939 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -81.26 108.35 14.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.407 0.623 . . . . 0.0 109.942 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.516 ' HA ' HG23 ' A' ' 40' ' ' VAL . 37.1 m95 -99.64 129.71 45.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.087 -178.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 p -78.29 158.84 28.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 t -60.12 -35.92 76.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.949 0.404 . . . . 0.0 110.021 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 2.2 mp0 -61.97 -46.33 89.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.708 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' HB1' HG23 ' A' ' 45' ' ' VAL . . . -63.69 -47.07 82.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.128 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 60.6 mtpt -57.78 -39.01 76.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.071 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.3 m -66.87 -40.54 87.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.402 . . . . 0.0 110.636 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -62.8 -39.42 94.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.682 177.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.537 HD11 HD13 ' A' ' 16' ' ' ILE . 47.1 tp -63.01 -36.9 85.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.761 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 63.2 mttm -65.66 -26.96 68.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.961 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -82.29 -7.4 59.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.065 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.537 HD13 HD11 ' A' ' 13' ' ' LEU . 58.6 mt -84.14 132.28 48.41 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.755 174.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.24 148.23 71.63 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.876 2.384 . . . . 0.0 112.458 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -55.5 -34.36 64.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.593 -177.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -63.79 -19.53 65.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.69 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.35 8.68 8.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.659 0.266 . . . . 0.0 111.116 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -59.63 -46.93 87.52 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.5 t -77.51 -41.04 40.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.852 0.358 . . . . 0.0 110.079 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -59.76 -45.06 93.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.75 -45.81 73.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.3 tttm -55.97 -46.68 78.57 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.744 0.307 . . . . 0.0 110.541 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.5 88.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.718 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.582 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 20.0 tpt180 -64.7 -51.6 61.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.711 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' A' ' 45' ' ' VAL . 62.6 mt -56.24 -51.75 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.611 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -65.19 -32.28 73.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.876 -176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.431 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 48.2 mt-30 -72.49 -35.47 68.18 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.667 174.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 96.3 mt -61.74 -31.77 71.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 110.343 175.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.442 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -68.62 -40.38 80.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.501 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.4 mtp-105 -64.4 -36.6 84.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.124 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 22.0 mt-30 -67.15 -26.51 66.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.105 0.479 . . . . 0.0 110.154 174.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.55 -1.35 57.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.131 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 71.2 23.73 4.01 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.617 0.573 . . . . 0.0 111.693 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -127.11 152.09 47.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.566 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -99.6 1.39 43.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.179 0.514 . . . . 0.0 110.021 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -108.57 131.61 58.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.496 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.516 HG23 ' HA ' ' A' ' 5' ' ' TRP . 17.0 m -98.03 132.45 42.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.266 0.555 . . . . 0.0 109.713 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.4 p -94.18 159.63 33.76 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.694 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.86 -25.55 69.9 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.094 1.862 . . . . 0.0 110.911 175.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.75 -54.65 44.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.287 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.4 -42.72 99.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.258 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.498 ' HA ' HG12 ' A' ' 28' ' ' ILE . 56.7 t -60.8 -47.68 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.84 -33.87 66.44 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.177 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -48.09 81.67 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.11 72.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.449 0.642 . . . . 0.0 110.321 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -75.06 -25.57 58.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.285 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 -48.67 12.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.518 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.5 pt-20 -64.85 -35.45 81.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.676 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 22.0 m-30 -69.68 -33.46 72.59 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.989 0.424 . . . . 0.0 109.927 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.41 -40.72 98.01 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.709 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -68.18 -31.67 71.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.566 0.222 . . . . 0.0 111.017 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 85.2 mt -68.89 -36.12 77.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.533 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 62.5 81.2 0.21 Allowed 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.94 0.775 . . . . 0.0 110.361 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.2 m80 66.77 177.96 0.23 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.546 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -158.38 84.12 0.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 111.524 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -166.1 -30.92 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.45 174.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -70.31 -10.25 58.45 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 70.11 154.67 0.13 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.494 0.664 . . . . 0.0 112.389 172.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.3 p80 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.354 170.555 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.43 0.157 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.38 115.02 20.53 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.563 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 90.1 mt -88.81 179.22 6.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.144 -175.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.786 HH21 ' HB3' ' A' ' 38' ' ' ASP . 85.0 mtm180 -81.94 116.6 21.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.502 0.668 . . . . 0.0 111.134 178.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.563 ' HA ' HG23 ' A' ' 40' ' ' VAL . 41.6 m95 -98.48 127.59 44.47 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.524 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.0 p -68.03 157.69 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.979 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -57.14 -37.6 72.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.904 0.383 . . . . 0.0 110.99 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.45 -41.33 76.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.703 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.48 96.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.782 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' HE2' ' O ' ' A' ' 5' ' ' TRP . 68.8 mttm -59.25 -45.9 89.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.806 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 m -64.75 -44.92 88.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -63.04 -35.56 80.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.57 HD11 HD13 ' A' ' 16' ' ' ILE . 53.4 tp -63.95 -38.27 90.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.721 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -64.93 -23.83 67.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -71.28 -24.23 62.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.16 0.505 . . . . 0.0 110.812 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.57 HD13 HD11 ' A' ' 13' ' ' LEU . 59.3 mt -75.89 130.42 78.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.084 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.11 133.84 42.09 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.878 2.385 . . . . 0.0 112.236 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -50.5 -38.34 43.66 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.457 0.473 . . . . 0.0 111.817 -176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -57.46 -27.78 62.78 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.493 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.82 -15.65 10.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -176.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -58.24 -46.64 85.58 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -174.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 m -60.31 -44.63 95.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.3 0.571 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -69.35 -36.95 77.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.809 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.57 -38.59 84.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.53 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.8 tttm -56.56 -49.14 75.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 0.0 110.275 177.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.7 69.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.931 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -73.11 -47.92 40.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.441 177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.516 ' HA ' HD11 ' A' ' 31' ' ' LEU . 83.4 mt -59.93 -47.35 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.6 -28.37 65.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.769 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -70.98 -35.17 72.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.011 0.434 . . . . 0.0 109.882 173.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 28' ' ' ILE . 69.0 mt -63.46 -39.64 95.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.101 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.529 ' HB2' HG11 ' A' ' 40' ' ' VAL . . . -66.33 -40.23 89.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.508 175.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -57.2 -42.59 81.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.922 0.391 . . . . 0.0 110.789 174.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.77 -38.58 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.556 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.47 -11.63 60.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.601 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 69.17 31.42 4.01 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.456 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -126.37 162.12 26.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.668 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.786 ' HB3' HH21 ' A' ' 4' ' ' ARG . 9.9 t70 -101.78 -26.73 13.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.424 0.63 . . . . 0.0 110.161 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.41 120.73 39.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.477 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.563 HG23 ' HA ' ' A' ' 5' ' ' TRP . 16.6 m -93.94 136.52 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.434 0.635 . . . . 0.0 110.767 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.7 p -98.71 159.7 29.74 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.596 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.57 -21.46 62.35 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.283 1.988 . . . . 0.0 111.49 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.56 -50.65 73.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.509 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.91 -35.32 79.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.625 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 97.0 t -58.77 -54.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.919 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.38 -38.74 92.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.085 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -52.52 62.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.598 -178.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.05 73.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.027 0.441 . . . . 0.0 110.648 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -67.29 -34.86 78.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -65.06 -45.38 85.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.053 178.163 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 47.6 mt-10 -58.98 -48.58 81.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.042 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.425 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 63.0 m-85 -69.57 -17.26 63.54 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.026 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.69 -22.66 57.75 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.376 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 13.1 mm100 -91.76 -33.92 14.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.569 0.223 . . . . 0.0 110.864 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 97.7 mt -59.89 -68.61 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.624 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -134.52 -161.71 1.18 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 58' ' ' HIS . 13.6 m80 68.55 98.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.634 0.584 . . . . 0.0 111.703 172.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 57' ' ' HIS . 19.7 m-70 73.8 -72.94 0.1 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.17 174.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.8 p80 40.44 48.33 2.42 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 122.233 1.015 . . . . 0.0 110.361 -169.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -144.17 130.24 19.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.215 -174.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -84.22 -179.23 7.16 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.448 -0.787 . . . . 0.0 108.893 175.148 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' O ' ' HB2' ' A' ' 2' ' ' ASN . 70.1 mtm . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 1' ' ' MET . 49.5 m-80 70.2 138.59 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.937 0.773 . . . . 0.0 110.081 -170.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.2 mt -96.71 177.89 5.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.358 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.424 ' HB2' HG12 ' A' ' 39' ' ' ILE . 47.4 mtt180 -82.85 115.96 21.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.234 0.54 . . . . 0.0 110.482 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.492 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 43.3 m95 -98.19 129.39 44.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.967 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 54.5 p -75.98 165.24 25.25 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.2 m -58.26 -41.09 83.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.54 -37.61 74.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.813 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.37 98.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.713 0.292 . . . . 0.0 110.877 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' HE2' ' O ' ' A' ' 5' ' ' TRP . 64.0 mttm -57.17 -45.25 83.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.353 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -64.76 -43.03 94.62 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.16 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -61.05 -41.87 97.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.279 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.457 HD12 HD13 ' A' ' 16' ' ' ILE . 49.3 tp -61.49 -38.27 86.7 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.89 0.376 . . . . 0.0 110.407 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -73.74 -8.3 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.743 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -90.33 -10.96 42.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.143 0.496 . . . . 0.0 110.523 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.457 HD13 HD12 ' A' ' 13' ' ' LEU . 63.4 mt -83.77 132.53 48.59 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.805 177.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.32 135.67 54.11 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.739 2.293 . . . . 0.0 112.069 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -50.24 -39.47 44.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.971 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -61.45 -24.41 66.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.74 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.17 2.11 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -68.54 -45.41 72.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.593 0.235 . . . . 0.0 111.21 -174.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -62.11 -39.52 92.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.296 0.569 . . . . 0.0 110.145 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -67.35 -46.7 72.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.166 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.579 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.49 -44.11 97.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 43.1 tttp -54.62 -43.32 72.15 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.248 0.342 . . . . 0.0 111.082 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.75 89.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.612 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 13.1 tpt180 -70.4 -41.02 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.655 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 24' ' ' ALA . 80.8 mt -56.91 -52.85 50.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.034 0.445 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.53 -22.88 63.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.512 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -70.59 -45.42 65.38 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 72.8 mt -59.46 -39.42 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.759 179.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.957 0.408 . . . . 0.0 110.804 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -65.84 -26.68 67.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.29 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -68.12 -35.66 78.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.981 0.42 . . . . 0.0 110.003 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.34 -5.53 59.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.75 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 68.72 32.98 3.93 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.924 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -121.37 144.41 48.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.777 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.66 12.37 32.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.019 0.438 . . . . 0.0 110.094 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.424 HG12 ' HB2' ' A' ' 4' ' ' ARG . 63.7 mt -122.2 135.25 62.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.434 178.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.469 HG23 ' HA ' ' A' ' 5' ' ' TRP . 11.9 m -106.47 142.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.334 0.588 . . . . 0.0 110.358 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.446 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 37.8 p -107.34 162.65 19.03 Favored Pre-proline 0 C--N 1.315 -0.904 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.572 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.446 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.3 Cg_endo -59.31 -24.26 73.54 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.185 1.923 . . . . 0.0 111.392 176.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.89 -49.08 77.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.843 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.21 -39.31 78.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.67 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 ' HA ' HG12 ' A' ' 28' ' ' ILE . 44.5 t -58.85 -46.18 91.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.178 177.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -58.47 -53.11 62.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.215 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 10.1 mm100 -55.92 -43.95 77.84 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.41 -179.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.28 88.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.836 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -67.31 -38.61 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -33.63 74.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 13.1 mm-40 -59.4 -46.59 88.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.056 0.455 . . . . 0.0 110.331 175.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 82.7 m-85 -79.83 -24.69 41.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.62 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.84 -34.91 91.15 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 12.5 mm-40 -78.43 -29.93 47.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.59 0.233 . . . . 0.0 110.583 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' HB2' ' HA ' ' A' ' 52' ' ' PHE . 1.1 mp -56.92 -29.86 63.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.097 0.475 . . . . 0.0 110.818 176.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -77.0 71.75 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.536 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -98.82 -67.05 0.86 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 171.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -153.57 100.0 2.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.932 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -98.78 117.59 33.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.22 0.533 . . . . 0.0 111.127 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -97.96 -26.99 14.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.385 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -100.38 134.67 42.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.595 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--O 1.245 0.833 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.728 178.541 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.51 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 42.9 m-80 60.46 95.02 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 111.036 -175.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.674 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 65.1 mt -86.64 178.72 6.96 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.674 -174.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -77.14 105.04 7.98 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.257 0.551 . . . . 0.0 110.532 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.58 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 52.5 m95 -86.09 124.97 33.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.296 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.5 p -71.31 155.74 40.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.8 m -56.45 -37.62 70.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.959 0.409 . . . . 0.0 111.038 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.16 -37.63 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.61 88.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.326 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -58.91 -42.72 90.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.908 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.6 m -66.97 -35.91 81.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.104 0.478 . . . . 0.0 110.73 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -71.68 -37.35 70.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.32 -41.74 98.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.887 0.375 . . . . 0.0 110.094 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.83 -14.33 61.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.97 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -76.91 -25.52 53.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.412 HG12 ' HD3' ' A' ' 49' ' ' ARG . 66.4 mt -80.38 134.38 55.15 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.814 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -50.78 137.29 42.71 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.056 2.504 . . . . 0.0 112.22 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -57.83 -25.26 60.39 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.96 0.409 . . . . 0.0 111.101 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -64.4 -30.39 71.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.191 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.95 7.39 9.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -71.58 -44.69 64.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.495 -174.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -67.4 -37.01 82.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.024 0.44 . . . . 0.0 109.848 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 6.1 tp-100 -62.26 -46.35 89.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.043 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.52 -42.7 99.69 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.845 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.9 tttm -53.92 -45.51 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.877 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.41 89.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.867 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.613 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 11.2 mmt85 -67.6 -49.59 62.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.495 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.489 ' HA ' HD11 ' A' ' 31' ' ' LEU . 71.0 mt -57.92 -47.12 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.544 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.51 ' OE2' ' HA ' ' A' ' 2' ' ' ASN . 56.5 mt-10 -70.95 -25.08 62.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.81 -44.43 73.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 59.0 mt -59.31 -42.86 92.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.784 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB2' HG13 ' A' ' 40' ' ' VAL . . . -67.32 -41.6 85.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.36 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -68.11 -25.39 65.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.995 0.426 . . . . 0.0 110.572 176.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.49 -34.98 68.06 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.2 -3.65 55.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.048 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 70.13 25.98 4.57 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.125 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -121.52 161.21 22.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.326 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.674 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 18.8 t70 -106.08 -14.41 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.265 0.555 . . . . 0.0 110.183 -178.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.4 mt -98.66 123.93 51.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.478 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.562 HG23 ' HA ' ' A' ' 5' ' ' TRP . 13.3 m -97.72 135.54 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.175 0.512 . . . . 0.0 110.318 177.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.2 p -101.96 157.85 32.89 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.524 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.27 -27.9 77.23 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.578 2.185 . . . . 0.0 112.805 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.8 -44.0 97.42 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 120.583 0.23 . . . . 0.0 110.704 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.47 -36.2 80.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.802 0.334 . . . . 0.0 110.703 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.426 HG23 HD12 ' A' ' 28' ' ' ILE . 48.4 t -65.29 -45.36 93.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.238 0.542 . . . . 0.0 110.089 176.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -43.57 98.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.112 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -54.36 -49.42 69.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.365 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -61.71 -35.59 78.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.047 0.451 . . . . 0.0 110.748 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' HD3' HG12 ' A' ' 16' ' ' ILE . 28.0 tpt85 -69.62 -36.49 76.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.003 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.49 -32.8 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.527 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 47.6 mm-40 -56.04 -47.38 77.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.18 0.514 . . . . 0.0 109.719 171.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -80.24 -2.94 47.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.944 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.9 -24.13 13.81 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.166 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -102.37 -35.78 8.69 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.9 mt -74.4 -87.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.287 0.565 . . . . 0.0 111.216 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.35 175.27 5.53 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.9 m80 62.58 52.01 3.02 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -53.72 120.84 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.726 -174.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -67.86 142.12 56.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.936 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -128.75 138.8 52.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -73.71 144.78 45.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.132 0.491 . . . . 0.0 110.947 -176.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 C--O 1.246 0.871 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.725 175.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -69.5 157.63 36.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.152 0.501 . . . . 0.0 110.984 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.9 mt -97.86 -179.41 4.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.815 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -87.46 120.13 28.45 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.404 0.621 . . . . 0.0 110.764 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.627 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -102.36 130.28 49.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.092 -175.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.451 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 35.4 p -70.19 157.47 37.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.564 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.421 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 22.7 t -59.13 -31.35 68.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.232 0.539 . . . . 0.0 110.097 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -70.06 -44.97 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.816 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.25 96.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.091 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 6' ' ' THR . 63.3 mttm -55.9 -51.6 67.03 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.024 0.44 . . . . 0.0 110.311 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 m -64.12 -39.46 94.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.057 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -62.56 -39.59 94.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.342 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.597 HD13 HD12 ' A' ' 16' ' ' ILE . 55.8 tp -61.94 -37.13 83.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 91.3 mttt -68.94 -16.14 63.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.39 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -76.13 -27.05 56.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.156 0.503 . . . . 0.0 110.206 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 13' ' ' LEU . 55.1 mt -72.77 130.07 85.89 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.643 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.89 138.87 69.73 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.949 2.433 . . . . 0.0 112.334 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -56.58 -25.27 52.0 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.322 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -63.19 -26.72 68.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.256 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 12.01 4.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.72 -175.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -69.99 -49.15 54.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -172.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -68.95 -31.14 69.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -68.46 -45.5 72.29 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -64.83 -42.98 94.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.6 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.627 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 88.3 tttt -53.94 -43.34 69.73 Favored 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.269 0.356 . . . . 0.0 110.579 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.0 93.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.165 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.518 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 24.6 ttm180 -70.12 -37.79 75.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 24' ' ' ALA . 82.4 mt -59.93 -49.88 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.792 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 50.3 mt-10 -67.68 -29.25 68.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.038 0.447 . . . . 0.0 110.201 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.26 -45.44 84.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.276 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 71.7 mt -61.3 -37.42 83.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.494 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -68.09 -30.42 69.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 11.1 mmm180 -67.0 -38.24 85.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 0.0 110.055 175.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -72.67 -32.69 66.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.148 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.27 -14.09 60.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.084 175.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 61.5 57.64 2.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.707 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -148.81 158.26 44.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.412 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -98.91 -14.14 19.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.768 0.318 . . . . 0.0 110.4 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.6 mt -108.63 124.87 65.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.223 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.529 HG23 ' HA ' ' A' ' 5' ' ' TRP . 19.4 m -93.45 137.68 22.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.421 0.629 . . . . 0.0 110.776 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.523 ' HB ' ' OE1' ' A' ' 43' ' ' GLU . 2.6 p -98.81 155.48 36.61 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.379 177.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.38 -31.54 77.82 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.822 2.348 . . . . 0.0 112.588 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.523 ' OE1' ' HB ' ' A' ' 41' ' ' THR . 5.1 mp0 -60.69 -40.93 94.01 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 178.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.07 -34.84 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 110.33 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.418 HG12 HD13 ' A' ' 28' ' ' ILE . 62.1 t -63.98 -46.65 93.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.216 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' OE2' ' HD3' ' A' ' 49' ' ' ARG . 4.7 tp10 -64.21 -39.75 94.63 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.99 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.67 -52.58 55.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.812 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.4 74.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.978 0.418 . . . . 0.0 110.881 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HD3' ' OE2' ' A' ' 46' ' ' GLU . 54.7 ttt180 -71.93 -36.22 69.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.216 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -42.16 95.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.436 176.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 42.5 mm-40 -52.49 -58.86 5.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.109 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -65.84 -26.8 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.91 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.84 -17.75 75.51 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.767 176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -115.11 3.48 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.7 0.286 . . . . 0.0 111.016 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -111.96 -38.08 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.45 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 55.84 -103.03 0.17 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.019 0.438 . . . . 0.0 110.106 -172.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -148.83 -53.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 174.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -140.23 115.46 9.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.805 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -64.35 118.22 8.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.346 -177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -65.56 128.26 35.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.076 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -102.06 160.62 14.35 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.947 178.729 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 64.39 156.04 0.07 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.521 0.677 . . . . 0.0 111.286 -174.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.55 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 42.5 mt -92.95 178.94 5.6 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -80.29 110.78 16.05 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.674 0.75 . . . . 0.0 111.177 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.58 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 51.0 m95 -95.69 122.22 38.23 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.905 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.41 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.9 p -69.18 155.31 40.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.594 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.0 p -57.88 -34.39 69.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.273 0.558 . . . . 0.0 110.538 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -70.58 -39.67 73.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.438 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.89 89.88 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.014 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 6' ' ' THR . 95.1 mttt -54.46 -45.3 73.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.565 175.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -62.49 -40.11 95.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.086 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -67.35 -39.47 85.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.064 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.626 HD12 HD13 ' A' ' 16' ' ' ILE . 29.9 tp -63.83 -32.11 73.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.144 0.497 . . . . 0.0 110.359 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -75.6 -6.87 52.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.344 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -88.69 -12.73 41.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.229 175.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.626 HD13 HD12 ' A' ' 13' ' ' LEU . 45.0 mt -88.64 133.85 35.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.815 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.92 129.57 33.65 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.643 2.229 . . . . 0.0 111.678 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -51.67 -31.79 27.11 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -63.9 -35.89 82.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.387 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.9 6.18 16.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.968 0.414 . . . . 0.0 110.758 -176.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.53 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 20.7 ttm180 -67.99 -47.21 69.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.428 ' HA ' ' HB3' ' A' ' 25' ' ' LYS . 26.3 m -69.37 -31.72 70.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.511 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.31 -50.05 71.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.913 175.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.5 -43.14 99.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.03 176.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.58 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 35.6 tttp -57.05 -41.01 77.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.561 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 30' ' ' GLN . . . -61.28 -38.94 88.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.919 0.39 . . . . 0.0 110.723 176.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 35.9 ttt85 -72.58 -40.47 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 177.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 24' ' ' ALA . 80.7 mt -57.5 -52.33 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 110.793 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 52.7 mt-10 -67.91 -25.06 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.63 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 26' ' ' ALA . 1.2 tp-100 -73.16 -41.2 64.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.211 176.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 39.7 mt -59.34 -43.69 92.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.311 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.478 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.25 -36.04 78.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.975 177.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 44.2 mtp180 -67.59 -32.95 74.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.939 177.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -69.64 -24.1 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.147 0.499 . . . . 0.0 109.992 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.22 -9.18 46.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.41 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 4.5 mm-40 62.13 44.67 7.68 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.354 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -132.95 148.83 52.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.645 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.55 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 14.2 t70 -88.75 -21.3 23.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.478 0.656 . . . . 0.0 109.434 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.5 mt -90.86 122.9 42.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.805 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.499 HG23 ' HA ' ' A' ' 5' ' ' TRP . 19.7 m -97.09 135.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.403 0.621 . . . . 0.0 110.129 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.451 ' HB ' ' OE1' ' A' ' 43' ' ' GLU . 26.5 p -98.0 154.38 37.78 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.097 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.505 ' HG2' ' OE2' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -58.46 -26.19 76.97 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.59 2.193 . . . . 0.0 112.124 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.505 ' OE2' ' HG2' ' A' ' 42' ' ' PRO . 4.7 mp0 -59.38 -42.72 92.33 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.09 176.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -70.15 -38.96 75.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.73 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.35 -49.96 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 110.388 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.72 -43.31 96.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.287 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.619 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 60.5 tp60 -54.41 -50.28 67.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.43 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HA ' ' CG ' ' A' ' 51' ' ' GLU . . . -62.8 -29.96 71.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.246 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -72.17 -30.93 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 HD11 ' HA ' ' A' ' 50' ' ' LEU . 2.7 mm? -78.14 -32.37 50.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.605 176.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 9.7 mm-40 -52.85 -48.42 67.06 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -85.76 -21.9 27.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.07 -35.82 92.47 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.709 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -102.38 -10.16 19.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.5 tp 61.54 45.05 8.58 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.723 0.773 . . . . 0.0 109.194 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.824 ' HG3' ' H ' ' A' ' 57' ' ' HIS . 15.2 pt-20 38.9 -88.28 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 113.282 -1.781 . . . . 0.0 113.927 -175.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.824 ' H ' ' HG3' ' A' ' 56' ' ' GLU . 71.9 t60 64.55 16.42 10.27 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.491 0.662 . . . . 0.0 109.556 -176.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 47.79 58.14 5.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.294 -170.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -54.71 132.57 45.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.927 -175.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -81.4 17.81 1.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.659 -174.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.7 m170 63.77 -170.07 0.19 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.26 0.35 . . . . 0.0 110.555 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 119.218 -0.42 . . . . 0.0 109.923 176.342 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 121.098 0.475 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.49 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 3.2 p-10 -152.25 140.31 20.22 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.542 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 48.9 mt -93.93 -179.48 4.99 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.549 ' HD3' HG12 ' A' ' 39' ' ' ILE . 21.0 ttt180 -73.76 96.6 2.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.544 0.688 . . . . 0.0 110.319 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.655 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 53.8 m95 -82.3 123.52 29.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.499 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 20.9 p -68.06 155.27 39.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 m -57.95 -36.21 72.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.925 0.393 . . . . 0.0 111.263 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -74.51 -36.64 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.115 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.81 -41.77 97.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.375 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 6' ' ' THR . 57.4 mtpt -58.44 -45.31 88.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.507 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.3 m -64.61 -42.15 95.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.563 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -60.88 -42.25 97.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.163 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD12 HD11 ' A' ' 16' ' ' ILE . 55.5 tp -60.5 -37.77 82.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.756 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -71.98 -8.2 53.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.332 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -95.66 2.31 54.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.091 0.472 . . . . 0.0 110.341 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 13' ' ' LEU . 63.2 mt -96.34 132.16 27.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.592 173.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.77 141.3 28.21 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.212 2.608 . . . . 0.0 112.658 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -49.34 -47.59 47.19 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -57.81 -31.58 66.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.953 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.16 1.02 14.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.586 -176.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -66.85 -40.28 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 p -71.94 -40.89 68.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.737 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.37 -47.72 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.485 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.511 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.45 -42.91 99.8 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.693 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.655 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 59.8 tttm -52.25 -44.67 65.02 Favored 'General case' 0 C--O 1.231 0.082 0 O-C-N 123.235 0.334 . . . . 0.0 110.722 177.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 30' ' ' GLN . . . -60.32 -43.9 95.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.555 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.554 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 8.7 mmm180 -68.3 -39.49 82.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.608 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 24' ' ' ALA . 87.2 mt -61.37 -47.17 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.202 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.49 ' OE2' ' HA ' ' A' ' 2' ' ' ASN . 82.2 mt-10 -67.68 -28.45 67.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.047 0.451 . . . . 0.0 110.557 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 15.9 mm100 -75.71 -34.57 60.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.571 175.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 98.0 mt -64.61 -34.58 78.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 174.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.517 ' HB2' HG11 ' A' ' 40' ' ' VAL . . . -67.14 -38.6 85.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.279 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' A' ' 33' ' ' ARG . 24.1 mmt180 -70.38 -25.35 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.846 176.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.84 -30.28 56.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.24 0.543 . . . . 0.0 109.604 174.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.22 -5.5 59.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.251 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 62.76 42.05 8.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.313 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -144.2 155.49 43.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.021 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 19.2 t70 -90.64 -23.19 20.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.409 0.623 . . . . 0.0 110.209 -177.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.549 HG12 ' HD3' ' A' ' 4' ' ' ARG . 37.5 mt -86.37 118.04 31.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.354 -177.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.621 HG21 ' HA ' ' A' ' 5' ' ' TRP . 3.8 m -92.7 138.79 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.9 p -104.67 161.84 21.61 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.213 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -58.73 -22.08 59.56 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.268 1.979 . . . . 0.0 111.664 175.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.42 -48.71 80.6 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.185 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.34 -40.94 81.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.906 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.508 HG22 HD12 ' A' ' 28' ' ' ILE . 31.6 t -63.16 -43.51 98.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.339 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -57.88 -52.99 63.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.357 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.586 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -53.19 -46.56 69.03 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.464 179.581 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.06 90.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.063 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' HD3' HG12 ' A' ' 16' ' ' ILE . 42.9 ttp180 -74.07 -30.37 62.35 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.284 0.564 . . . . 0.0 109.568 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -42.36 88.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.461 177.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 18.2 mm-40 -54.12 -57.25 11.81 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.571 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -68.41 -27.55 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.839 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.06 -27.55 73.75 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.497 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.411 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 15.9 mm-40 -88.12 -32.22 18.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.357 . . . . 0.0 110.557 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 97.3 mt -65.97 -52.89 45.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.236 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 65.32 -67.96 0.12 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.037 0.835 . . . . 0.0 111.594 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -103.08 149.14 24.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.289 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -63.96 106.48 1.04 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.257 0.551 . . . . 0.0 110.394 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -66.35 -70.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.557 -172.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -109.52 -43.28 4.12 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.354 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 67.3 t60 69.04 -66.01 0.27 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.852 0.72 . . . . 0.0 111.118 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.76 177.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.943 0.401 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -163.82 147.75 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 mt -86.87 179.68 6.68 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.985 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -85.59 115.03 23.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.018 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.563 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 46.1 m95 -97.82 123.86 41.96 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.426 -177.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 p -68.78 152.65 45.04 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.8 t -59.24 -35.45 73.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.968 0.413 . . . . 0.0 110.291 -176.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.17 -35.91 74.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.748 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.6 82.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.467 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -57.65 -41.74 82.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.553 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -61.74 -47.4 85.37 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.568 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -59.27 -42.2 90.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.298 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' HG ' ' NH1' ' A' ' 21' ' ' ARG . 47.8 tp -60.87 -34.68 74.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.003 -178.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -76.82 -17.77 58.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.763 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -90.17 -6.2 55.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.943 0.401 . . . . 0.0 110.689 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.5 mt -82.46 132.17 53.28 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.865 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.57 145.91 56.25 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.203 2.602 . . . . 0.0 112.584 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.495 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 88.6 t80 -55.7 -38.01 69.13 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.626 -177.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -57.77 -32.45 67.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.97 -2.95 22.28 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.697 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 6.6 mmm180 -53.35 -58.97 5.24 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.7 t -67.47 -37.5 82.99 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.981 0.419 . . . . 0.0 110.691 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -67.14 -44.15 80.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.759 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.531 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.23 -52.15 50.61 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.967 -178.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.563 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 59.8 tttm -52.35 -45.32 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.332 0.395 . . . . 0.0 110.805 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.617 ' O ' ' HG3' ' A' ' 30' ' ' GLN . . . -55.82 -51.19 68.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.759 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -69.26 -38.85 78.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.384 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 24' ' ' ALA . 97.6 mt -57.27 -47.88 83.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.971 0.415 . . . . 0.0 110.497 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 51.5 mt-10 -69.66 -26.1 64.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 25.4 mt-30 -72.67 -38.02 67.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.094 0.474 . . . . 0.0 109.834 173.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 28' ' ' ILE . 83.2 mt -62.48 -31.08 71.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.409 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.531 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -70.78 -37.05 73.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.42 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 50.2 mtt180 -64.75 -37.12 86.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.457 0.646 . . . . 0.0 109.456 174.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.14 -35.93 81.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.329 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.24 -4.78 59.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.783 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.52 57.81 2.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.818 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -153.45 156.54 38.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.552 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -83.91 -11.64 56.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.257 0.551 . . . . 0.0 110.101 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.1 mt -105.42 138.81 28.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.802 -173.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG23 ' HA ' ' A' ' 5' ' ' TRP . 13.3 m -104.69 134.84 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 p -101.19 155.96 35.72 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.291 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.426 ' HG2' ' OE2' ' A' ' 43' ' ' GLU . 11.1 Cg_endo -56.75 -25.26 59.7 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.485 2.123 . . . . 0.0 112.18 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' OE2' ' HG2' ' A' ' 42' ' ' PRO . 2.9 mp0 -58.98 -46.91 86.95 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 110.538 175.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.95 -35.79 79.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.783 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.43 -44.47 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.121 0.486 . . . . 0.0 109.835 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -61.18 -50.3 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.102 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -52.01 -54.35 30.97 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.411 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.81 75.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.966 0.412 . . . . 0.0 110.621 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 49' ' ' ARG . 41.5 ttt-85 -65.94 -47.51 74.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.497 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -33.29 68.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.557 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.514 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 18.8 mm-40 -53.96 -49.58 68.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.027 0.441 . . . . 0.0 110.343 175.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -72.61 -32.03 65.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.449 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.65 -24.12 73.97 Favored Glycine 0 C--N 1.333 0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.384 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -87.66 -24.28 23.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.636 0.255 . . . . 0.0 110.712 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 94.8 mt -76.89 -96.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.604 178.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 44.18 -91.32 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.938 0.774 . . . . 0.0 111.749 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -91.73 88.17 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.215 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -88.61 35.59 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.271 0.558 . . . . 0.0 111.006 -172.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -130.83 -50.79 1.05 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.943 174.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.8 p80 40.79 66.75 0.59 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.178 0.924 . . . . 0.0 112.043 -177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -130.64 123.13 28.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.858 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.96 -179.309 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 66.79 99.13 0.05 OUTLIER 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.824 0.702 . . . . 0.0 109.274 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' ' 38' ' ' ASP . 93.8 mt -71.98 169.32 16.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.602 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.536 ' HD3' HG12 ' A' ' 39' ' ' ILE . 79.2 ttt180 -84.71 125.6 32.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.648 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.572 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 51.3 m95 -103.83 128.22 51.28 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.502 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.6 p -72.99 167.95 20.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.562 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -37.72 74.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.942 0.401 . . . . 0.0 110.656 177.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -72.5 -40.82 66.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.958 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.81 94.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.977 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -61.36 -45.3 94.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.386 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.5 m -64.13 -46.2 85.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.732 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HB3' HG12 ' A' ' 45' ' ' VAL . 58.1 mmtt -57.37 -45.15 84.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.449 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.9 -35.01 79.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 0.0 110.858 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -75.83 -21.82 56.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -81.19 -7.11 59.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.606 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.449 HG12 ' HD2' ' A' ' 49' ' ' ARG . 11.1 mt -91.23 128.54 46.9 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.799 176.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -40.77 134.72 2.31 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.671 2.914 . . . . 0.0 113.004 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -49.87 -46.75 51.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.021 -173.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -66.68 -19.03 65.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.863 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.96 -3.16 15.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.657 0.265 . . . . 0.0 111.126 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -72.51 -42.01 65.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.194 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 m -61.98 -44.36 96.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.275 0.56 . . . . 0.0 110.04 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.69 -36.5 82.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.584 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.95 -44.43 80.61 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.761 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.0 tttm -56.63 -40.16 74.9 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.167 0.292 . . . . 0.0 110.814 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.27 97.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.014 0.435 . . . . 0.0 110.649 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.597 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -64.3 -47.22 80.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.392 177.31 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.522 HD11 HG21 ' A' ' 45' ' ' VAL . 88.9 mt -60.88 -51.18 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.967 -176.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -65.37 -29.23 69.93 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.611 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.49 -40.73 76.85 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 88.9 mt -64.31 -38.95 92.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.392 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -66.6 -36.49 82.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 177.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -66.77 -31.2 71.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.031 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -64.98 -41.33 95.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 174.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.5 -11.94 60.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.507 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 63.54 38.96 9.36 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.096 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -128.78 166.15 19.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.93 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.488 ' HA ' HD21 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -98.76 -12.61 20.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 0.0 111.337 -176.7 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.536 HG12 ' HD3' ' A' ' 4' ' ' ARG . 45.9 mt -105.32 125.79 60.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.331 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.525 HG23 ' HA ' ' A' ' 5' ' ' TRP . 10.5 m -92.54 141.0 15.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.4 p -103.92 159.68 28.52 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.077 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.83 -25.25 75.7 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.259 1.972 . . . . 0.0 111.005 175.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.61 -47.96 82.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.683 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -69.24 -35.99 76.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.779 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.522 HG21 HD11 ' A' ' 28' ' ' ILE . 42.3 t -63.65 -46.0 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 0.0 110.058 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -62.89 -44.06 97.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.76 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 53.9 tp60 -55.01 -47.27 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.698 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.33 79.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.152 0.501 . . . . 0.0 110.931 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HD2' HG12 ' A' ' 16' ' ' ILE . 1.5 tpm_? -68.9 -38.9 79.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.657 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -64.42 -39.7 94.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.892 177.219 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 9.1 mm-40 -52.68 -51.68 59.21 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.237 178.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -74.86 -23.91 58.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.008 0.432 . . . . 0.0 110.741 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.99 -52.02 45.69 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.948 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.66 ' HA ' ' HB2' ' A' ' 58' ' ' HIS . 26.8 pt20 -81.73 -12.59 58.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.983 0.421 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 9.5 tt -61.95 -47.2 85.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.524 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -126.75 -78.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.347 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -87.44 75.37 9.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.491 0.663 . . . . 0.0 112.072 -171.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.66 ' HB2' ' HA ' ' A' ' 54' ' ' GLN . 10.0 t-160 -105.47 9.17 33.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -113.82 113.23 24.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.204 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -59.54 120.42 9.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.092 0.472 . . . . 0.0 110.862 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -86.93 -4.18 59.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.493 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.4 m170 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.437 -0.792 . . . . 0.0 108.917 172.037 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HG3' ' HD3' ' A' ' 33' ' ' ARG . 26.1 mmt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.7 t30 62.72 71.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.777 0.799 . . . . 0.0 109.788 -175.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.447 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 86.2 mt -82.41 -178.88 7.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.152 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' A' ' 4' ' ' ARG . 19.1 ttt-85 -74.14 101.76 4.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.554 ' HA ' HG21 ' A' ' 40' ' ' VAL . 50.3 m95 -82.18 124.4 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.483 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.0 p -69.71 160.14 32.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.928 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -60.91 -36.37 79.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.473 0.654 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.51 -39.95 77.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.839 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.459 ' HB1' HG23 ' A' ' 45' ' ' VAL . . . -61.85 -46.92 87.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.799 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 63.7 mttm -55.01 -44.94 75.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.797 175.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.7 m -65.64 -42.05 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -63.12 -38.0 89.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.836 0.35 . . . . 0.0 110.577 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.627 HD11 HD11 ' A' ' 16' ' ' ILE . 53.7 tp -64.43 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.839 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 98.4 mttt -72.09 -13.66 61.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.086 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -83.11 -15.5 50.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.953 0.406 . . . . 0.0 110.514 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.627 HD11 HD11 ' A' ' 13' ' ' LEU . 67.4 mt -84.51 127.2 66.72 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.953 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.55 149.5 30.96 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.071 2.514 . . . . 0.0 112.698 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.05 -39.16 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.403 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.97 -27.95 63.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.474 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.23 9.14 13.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.326 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -59.12 -53.13 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -74.68 -29.45 61.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.09 -51.22 48.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.353 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.512 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.81 -41.06 99.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.489 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.5 tttm -54.11 -44.9 71.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.769 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.47 94.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.639 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.48 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 17.9 ttm180 -69.39 -38.86 78.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.28 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 24' ' ' ALA . 93.4 mt -59.01 -47.43 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.405 . . . . 0.0 110.897 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -71.18 -22.78 61.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.897 0.379 . . . . 0.0 110.781 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -50.06 37.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 172.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 75.3 mt -57.42 -39.83 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.013 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' HB1' HG12 ' A' ' 40' ' ' VAL . . . -61.1 -44.69 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.408 ' HD3' ' HG3' ' A' ' 1' ' ' MET . 52.2 mtm180 -65.34 -36.22 83.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.979 0.419 . . . . 0.0 110.531 177.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.69 -35.61 81.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.98 -2.89 58.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.632 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 63.81 37.05 10.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.206 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -118.42 139.09 51.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.067 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.447 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 7.2 m-20 -92.25 -12.39 32.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.892 0.853 . . . . 0.0 109.108 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -111.09 109.48 28.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.247 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 5' ' ' TRP . 18.4 m -77.2 128.12 38.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.691 0.758 . . . . 0.0 110.037 -176.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.5 p -89.99 154.34 47.41 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.14 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.82 -23.67 68.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.565 2.176 . . . . 0.0 111.681 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.76 -49.5 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.029 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.08 -36.71 82.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.206 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG23 ' HB1' ' A' ' 9' ' ' ALA . 61.4 t -64.16 -46.32 93.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.79 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -69.31 -38.4 78.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.227 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -54.42 -47.64 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.046 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.82 -30.59 71.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -66.43 -31.51 72.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 50' ' ' LEU . 3.3 mm? -82.0 -25.35 34.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.438 178.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -56.24 -51.88 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.414 0.626 . . . . 0.0 109.563 171.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -81.05 -20.24 42.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.823 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.22 -26.94 64.97 Favored Glycine 0 C--O 1.224 -0.489 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.431 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -88.36 -32.67 18.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.735 -0.274 . . . . 0.0 110.685 176.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.82 -31.65 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.177 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 56.51 80.74 0.14 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.961 176.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -88.88 55.59 3.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.852 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -74.29 159.67 32.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.783 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -138.1 -176.83 4.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.736 0.303 . . . . 0.0 111.562 -175.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -66.2 113.74 4.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -169.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 32.3 m170 53.31 74.17 0.32 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.995 0.809 . . . . 0.0 112.528 173.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 12.1 t60 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.62 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 ttt . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 65.3 83.97 0.16 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.398 0.618 . . . . 0.0 110.269 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.487 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 79.1 mt -79.2 179.52 7.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.741 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.437 ' HB3' HD13 ' A' ' 39' ' ' ILE . 38.2 ttt180 -85.19 122.25 29.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 0.0 110.398 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.576 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 63.6 m95 -96.46 127.34 42.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.635 -178.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.1 p -66.95 158.67 30.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 171.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p -56.91 -39.95 75.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.917 0.389 . . . . 0.0 110.956 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -67.13 -41.49 86.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.316 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB1' HG23 ' A' ' 45' ' ' VAL . . . -61.74 -40.16 94.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.881 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 6' ' ' THR . 94.3 mttt -62.86 -42.19 99.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.416 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 m -64.46 -45.16 88.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.502 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -63.64 -35.23 79.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.37 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 16' ' ' ILE . 36.9 tp -63.94 -32.91 74.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.195 0.522 . . . . 0.0 109.841 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -73.52 -9.2 58.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.293 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.52 -23.55 42.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.017 0.437 . . . . 0.0 109.9 175.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.48 HG12 ' HD3' ' A' ' 49' ' ' ARG . 28.0 mt -83.45 128.16 65.37 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.862 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.6 142.39 49.76 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.959 2.439 . . . . 0.0 111.975 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -57.31 -27.74 62.44 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.552 -174.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.27 -32.26 73.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.389 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.1 -5.72 10.94 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -174.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -64.12 -43.64 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -173.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 t -71.03 -37.17 72.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.353 0.597 . . . . 0.0 110.175 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -69.14 -39.63 78.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.356 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.541 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.47 -39.11 85.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.448 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 57.0 tttm -57.61 -43.82 84.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.769 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.36 84.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.982 0.42 . . . . 0.0 110.45 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 21.9 tpt180 -64.8 -44.65 89.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.379 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 24' ' ' ALA . 76.2 mt -59.76 -48.94 85.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -56.73 -39.58 74.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 21.9 tt0 -69.83 -39.89 76.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.399 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 89.6 mt -62.66 -38.62 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.476 ' HB1' HG11 ' A' ' 40' ' ' VAL . . . -65.95 -35.24 80.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -67.99 -29.18 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.527 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 21.6 mt-30 -76.08 -29.89 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.116 0.484 . . . . 0.0 110.151 176.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.01 -9.69 59.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.526 171.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 63.75 47.41 3.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.223 175.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -148.6 163.11 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.925 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.487 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 26.7 m-20 -100.81 -0.69 36.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.072 0.463 . . . . 0.0 110.32 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.437 HD13 ' HB3' ' A' ' 4' ' ' ARG . 37.7 mm -100.32 123.38 53.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.726 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.53 HG23 ' HA ' ' A' ' 5' ' ' TRP . 17.1 m -98.05 131.8 44.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.303 0.573 . . . . 0.0 110.074 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.7 p -95.63 162.1 25.45 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 176.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.7 Cg_endo -58.1 -24.33 65.67 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.319 2.012 . . . . 0.0 111.316 177.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.18 -56.31 23.77 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.451 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.95 -38.7 89.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.4 HG23 ' HB1' ' A' ' 9' ' ' ALA . 62.1 t -61.16 -47.94 91.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.547 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -71.92 -38.6 69.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.711 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -54.86 -43.49 73.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.656 0.265 . . . . 0.0 110.508 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -69.25 -32.03 70.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.702 178.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.48 ' HD3' HG12 ' A' ' 16' ' ' ILE . 24.6 ttp180 -68.05 -33.54 74.77 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' A' ' 50' ' ' LEU . 2.7 mm? -74.82 -28.26 60.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.018 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 12.1 mm-40 -54.91 -51.85 64.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.671 0.748 . . . . 0.0 109.208 172.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -81.1 -18.64 45.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.428 -178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.0 -33.78 56.72 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 174.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 16.8 mm-40 -74.04 -27.58 61.0 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.325 0.583 . . . . 0.0 109.542 173.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.1 mt -86.66 -94.88 0.09 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.51 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 57.36 12.35 1.4 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.305 0.574 . . . . 0.0 110.799 -170.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -144.62 158.41 43.78 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -69.33 138.16 53.52 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.721 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -59.41 -51.77 68.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -155.15 -170.71 3.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -107.53 130.85 54.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 169.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.179 -176.6 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -87.36 131.81 34.16 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.23 -179.99 6.81 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -86.74 109.37 19.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.345 0.593 . . . . 0.0 110.433 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.583 ' HA ' HG23 ' A' ' 40' ' ' VAL . 45.3 m95 -92.42 127.71 38.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.878 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.5 p -72.9 153.48 40.99 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.3 m -59.36 -33.12 70.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.225 0.536 . . . . 0.0 110.135 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.36 -44.81 82.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.434 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -62.87 -45.38 92.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.938 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 64.0 mtpt -57.05 -40.14 76.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 m -67.34 -44.08 79.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.679 0.276 . . . . 0.0 110.538 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -57.72 -38.87 76.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.607 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.628 HD11 HD13 ' A' ' 16' ' ' ILE . 52.1 tp -64.76 -33.98 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.878 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 96.9 mttt -71.19 -17.1 62.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -82.68 -13.2 56.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.547 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.628 HD13 HD11 ' A' ' 13' ' ' LEU . 56.6 mt -84.57 133.13 44.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.261 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.35 139.1 22.77 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.393 2.729 . . . . 0.0 112.815 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -48.11 -40.04 22.28 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -72.75 -45.34 59.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -176.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.92 -11.35 57.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.346 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 21' ' ' ARG . 24.9 ttp180 -62.17 -37.0 83.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.674 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 t -71.52 -39.26 70.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.083 0.468 . . . . 0.0 110.104 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -70.15 -41.34 73.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.474 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.8 -48.57 78.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.56 177.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.7 tttm -51.84 -43.27 63.13 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.448 0.467 . . . . 0.0 110.71 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.99 78.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.978 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.451 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 60.1 ttt180 -72.69 -35.86 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.189 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 24' ' ' ALA . 90.5 mt -59.12 -50.75 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.913 0.387 . . . . 0.0 110.984 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.16 -26.3 63.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.048 0.451 . . . . 0.0 110.568 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.497 ' CA ' HE21 ' A' ' 30' ' ' GLN . 0.0 OUTLIER -68.63 -41.4 79.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.07 174.228 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 67.0 mt -60.56 -41.6 94.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.799 178.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.52 ' HB3' HG12 ' A' ' 40' ' ' VAL . . . -65.49 -35.27 80.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 33' ' ' ARG . 19.8 mtp180 -74.97 -26.16 59.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.205 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.432 HE21 ' HB3' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -69.43 -30.55 68.51 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 173.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.0 -11.31 53.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.295 173.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.59 45.0 3.71 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.45 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -132.52 159.69 38.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.686 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.21 -15.56 31.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.849 0.357 . . . . 0.0 111.354 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 58.5 mt -101.49 132.33 47.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.746 -173.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.583 HG23 ' HA ' ' A' ' 5' ' ' TRP . 13.8 m -101.43 130.35 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.407 0.622 . . . . 0.0 109.361 173.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.8 p -94.33 159.11 34.63 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.838 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.97 -23.64 52.89 Favored 'Trans proline' 0 CA--C 1.528 0.205 0 C-N-CA 122.409 2.073 . . . . 0.0 111.69 177.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.31 -55.59 32.83 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.928 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.6 -39.88 94.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.449 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.482 HG21 ' HB1' ' A' ' 9' ' ' ALA . 61.3 t -60.37 -48.4 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.038 0.447 . . . . 0.0 110.806 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -70.5 -40.99 73.23 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.039 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 60.9 tp60 -55.28 -47.84 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.419 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.29 80.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.636 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -66.35 -36.35 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -71.65 -41.34 68.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.163 178.031 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 79.9 mm-40 -52.6 -51.69 58.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 176.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 66.9 m-85 -70.54 -27.13 63.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.16 -19.41 72.08 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.734 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 50' ' ' LEU . 86.6 mt-30 -98.85 -26.56 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.376 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 87.5 mt -76.79 -40.76 47.06 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.238 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -78.4 155.69 29.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 0.0 110.318 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -66.63 145.22 55.82 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 172.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -66.44 110.16 3.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.162 0.506 . . . . 0.0 109.904 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -85.3 118.39 24.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.985 -169.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.6 t60 69.05 161.46 0.2 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.643 0.735 . . . . 0.0 112.831 165.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -49.13 128.02 15.63 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.264 170.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 . . . . . 0 C--N 1.315 -0.914 0 CA-C-O 118.493 -0.765 . . . . 0.0 110.067 -176.037 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -83.91 112.34 20.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.023 0.44 . . . . 0.0 110.388 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.578 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 48.5 m95 -92.13 124.18 36.02 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.551 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.2 p -70.92 157.42 38.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.91 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.1 m -57.06 -39.12 74.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.816 0.341 . . . . 0.0 110.772 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.19 -40.73 86.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.572 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.97 98.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.718 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 59.5 mtpt -54.47 -46.54 73.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.846 175.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.7 m -64.17 -41.5 97.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.917 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -62.81 -38.89 92.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.359 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.9 -34.78 78.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 110.342 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 59.5 mttm -68.51 -28.91 67.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.111 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -75.18 -13.02 60.42 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.967 0.413 . . . . 0.0 111.079 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.9 mt -83.91 138.92 40.03 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.847 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.43 136.18 68.6 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.778 2.318 . . . . 0.0 112.39 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.36 -35.66 70.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.11 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -61.54 -29.13 69.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.812 0.339 . . . . 0.0 111.496 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.68 13.84 14.3 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -71.54 -43.14 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.61 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -61.18 -43.26 99.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 21.8 tp60 -56.95 -50.5 72.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.641 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.454 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -65.01 -44.59 88.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.404 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.2 tttm -54.93 -43.63 73.54 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.806 0.336 . . . . 0.0 110.727 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.18 93.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.37 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 26.5 mmm180 -66.79 -49.19 66.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.882 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.524 HD13 HG22 ' A' ' 45' ' ' VAL . 76.6 mt -56.75 -50.26 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.604 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.06 -30.67 69.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -71.11 -35.47 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.071 0.463 . . . . 0.0 109.998 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 28' ' ' ILE . 61.6 mt -63.9 -38.45 91.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.048 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.534 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.9 -36.87 82.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.686 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -72.34 -26.14 61.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.006 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -67.88 -26.53 66.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.15 -4.51 27.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.105 176.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 56.54 41.96 27.9 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.983 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -110.6 145.17 38.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.469 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -89.31 -13.53 37.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.359 0.599 . . . . 0.0 109.757 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.1 mt -115.92 128.69 73.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.019 -175.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 32' ' ' ALA . 13.2 m -95.61 135.5 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.284 0.564 . . . . 0.0 110.343 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 69.7 p -97.13 161.81 24.93 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.798 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 20.4 Cg_endo -61.14 -18.56 58.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.392 2.062 . . . . 0.0 111.555 175.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -70.49 -39.21 74.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.29 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.02 -41.42 86.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.524 HG22 HD13 ' A' ' 28' ' ' ILE . 44.6 t -60.75 -43.0 94.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.35 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' OE2' ' HD3' ' A' ' 49' ' ' ARG . 7.1 tp10 -62.25 -44.18 97.14 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.925 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -52.5 -48.89 65.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.615 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.41 80.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.349 0.595 . . . . 0.0 110.817 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD3' ' OE2' ' A' ' 46' ' ' GLU . 30.5 ttt-85 -71.11 -36.45 72.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.533 0.683 . . . . 0.0 109.965 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -73.12 -42.73 62.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.708 -177.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.94 -38.84 89.96 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.571 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 27' ' ' ARG . 22.0 m-30 . . . . . 0 C--N 1.334 -0.107 0 CA-C-O 120.852 0.358 . . . . 0.0 110.52 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 38' ' ' ASP . 69.9 mt . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 120.726 0.298 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -90.59 114.17 26.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.716 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.613 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -94.76 131.01 41.05 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.753 -176.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.51 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 53.9 p -78.56 162.85 26.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 p -57.87 -35.44 70.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.961 0.41 . . . . 0.0 111.16 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 1.6 mp0 -68.17 -47.16 68.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.876 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.255 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 6' ' ' THR . 54.6 mtpt -63.06 -38.48 91.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.422 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.2 m -70.99 -41.43 70.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.991 0.424 . . . . 0.0 110.604 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -57.8 -43.13 85.44 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.53 -40.68 97.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.101 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.82 -13.75 62.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.991 0.424 . . . . 0.0 111.091 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -88.49 -3.25 58.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.907 0.384 . . . . 0.0 110.535 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.567 HG12 ' HD3' ' A' ' 49' ' ' ARG . 40.9 mt -95.57 137.21 22.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.16 134.37 43.58 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.906 2.404 . . . . 0.0 112.285 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.12 -38.72 73.85 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.96 -173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -64.21 -15.73 60.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.322 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.35 -0.11 11.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -69.01 -40.84 78.43 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -63.23 -37.96 89.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.367 0.603 . . . . 0.0 110.115 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -74.12 -42.84 59.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.832 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.95 -43.57 82.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.613 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 66.1 tttm -56.2 -44.35 79.36 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.591 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.28 -44.3 83.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.473 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 22.7 ttm-85 -66.67 -46.54 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.212 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.7 mt -56.15 -49.14 77.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 111.178 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 3' ' ' LEU . 55.8 mt-10 -71.23 -26.02 62.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.98 -38.21 72.75 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.758 0.313 . . . . 0.0 110.411 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 70.4 mt -62.14 -42.58 99.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 110.318 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -67.56 -43.15 81.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.048 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ARG . 27.5 mmt180 -67.36 -19.69 65.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -68.22 -40.42 82.11 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.91 -9.97 59.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.291 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 63.16 35.1 13.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.971 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 4.6 pt20 -104.76 146.56 28.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.687 177.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' HA ' HD22 ' A' ' 3' ' ' LEU . 7.2 m-20 -91.74 -6.93 51.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.016 0.436 . . . . 0.0 110.503 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -118.3 129.93 73.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.035 -176.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 32' ' ' ALA . 23.1 m -96.65 135.11 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.048 0.452 . . . . 0.0 110.332 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.465 ' OG1' HD13 ' A' ' 44' ' ' LEU . 4.6 p -96.34 157.26 35.82 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.643 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.91 -31.4 81.43 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 123.096 2.53 . . . . 0.0 112.912 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -70.31 -30.68 67.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.827 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.465 HD13 ' OG1' ' A' ' 41' ' ' THR . 9.0 mp -68.85 -39.68 79.76 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 175.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.5 t -62.66 -43.61 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.879 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.525 ' CD ' HH21 ' A' ' 49' ' ' ARG . 10.5 tp10 -60.92 -47.61 85.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.236 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 1.2 mm-40 -57.14 -38.61 73.76 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.708 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.72 97.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.219 0.533 . . . . 0.0 110.379 176.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HD3' HG12 ' A' ' 16' ' ' ILE . 38.7 ttp180 -73.43 -26.18 60.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.175 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -65.78 -45.83 80.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.417 176.727 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 34.9 mm-40 -54.84 -55.27 32.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.354 177.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 178.891 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.435 HD11 ' HG3' ' A' ' 33' ' ' ARG . 48.6 mt . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.21 113.0 21.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.322 0.582 . . . . 0.0 110.51 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.68 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 43.6 m95 -94.05 123.84 37.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.977 -178.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.0 p -69.13 159.29 33.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.104 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -35.99 71.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.137 0.494 . . . . 0.0 111.058 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -71.26 -42.63 68.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.13 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.49 89.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.327 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 58.8 mtpt -59.66 -38.67 82.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.0 m -65.3 -42.93 92.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -66.01 -33.47 75.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.723 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 16' ' ' ILE . 34.8 tp -64.09 -34.58 78.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.259 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 96.5 mttt -66.95 -21.12 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.102 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -77.86 -11.98 59.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.081 0.467 . . . . 0.0 110.456 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.523 HD12 HD12 ' A' ' 13' ' ' LEU . 27.7 mt -89.9 133.34 34.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.213 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.26 137.03 14.48 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.145 2.564 . . . . 0.0 112.331 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -51.84 -47.99 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -70.5 -28.5 65.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 111.84 -174.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.08 -7.16 33.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.885 0.374 . . . . 0.0 110.97 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 38.3 ttm180 -65.18 -42.15 93.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.284 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.6 t -64.93 -36.38 84.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.268 0.556 . . . . 0.0 110.021 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.4 -44.05 63.05 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.436 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -63.82 -42.12 97.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.291 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 60.7 tttm -52.99 -44.17 67.01 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 123.318 0.386 . . . . 0.0 110.841 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 30' ' ' GLN . . . -56.7 -46.94 80.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.448 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.561 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 45.7 mtp85 -67.72 -42.86 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.918 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.597 HD13 HG13 ' A' ' 45' ' ' VAL . 74.8 mt -56.64 -47.21 82.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.063 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 87.4 mt-10 -66.03 -37.61 86.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.715 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 79.7 mt-30 -62.17 -35.37 78.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.463 176.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 95.3 mt -64.52 -38.76 92.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.585 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.18 68.26 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.027 0.442 . . . . 0.0 110.602 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 83.0 mtt180 -63.5 -32.34 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.707 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -65.52 -36.66 84.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.19 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.11 -5.41 58.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.04 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 70.45 43.44 0.8 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.526 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -137.91 155.37 49.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.005 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.4 -2.08 55.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.064 0.459 . . . . 0.0 110.623 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -110.76 132.0 60.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.412 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 5' ' ' TRP . 21.3 m -97.45 138.15 23.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.319 0.581 . . . . 0.0 110.045 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 p -103.3 156.49 35.35 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.457 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.42 -37.29 97.41 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.268 2.645 . . . . 0.0 114.295 -172.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -77.07 -24.87 51.86 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.663 -175.489 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.99 -36.99 78.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.22 0.534 . . . . 0.0 109.715 172.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.597 HG13 HD13 ' A' ' 28' ' ' ILE . 91.1 t -61.18 -51.04 77.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.942 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.57 -22.79 58.81 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.533 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -63.03 -41.64 99.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.93 73.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.027 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.4 ttt-85 -71.48 -28.74 64.14 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -42.31 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.417 177.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 47' ' ' GLN . 37.7 mt-10 -58.18 -50.87 72.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.886 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.675 179.237 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.818 0.342 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.507 ' HD3' HG12 ' A' ' 39' ' ' ILE . 38.3 ttt85 -77.62 116.23 18.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.964 0.411 . . . . 0.0 110.539 178.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.691 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.7 m95 -96.41 129.7 43.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.664 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 40.1 p -73.88 156.7 37.42 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.503 175.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -60.5 -31.96 70.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.119 0.485 . . . . 0.0 110.711 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -68.14 -44.23 76.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.968 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.97 99.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.913 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 6' ' ' THR . 97.0 mttt -55.02 -47.19 75.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 110.602 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -63.0 -38.7 92.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.875 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.31 -38.52 87.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.932 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.87 -37.43 86.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.252 0.549 . . . . 0.0 110.07 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -70.27 -20.11 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.33 175.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -77.74 -17.97 57.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.824 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.594 HG12 ' HG3' ' A' ' 49' ' ' ARG . 47.3 mt -86.97 136.51 34.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.662 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.91 136.06 65.17 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.533 2.155 . . . . 0.0 111.546 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.537 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 63.3 t80 -51.04 -35.02 32.15 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.781 0.432 . . . . 0.0 111.674 -178.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -57.43 -31.1 65.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.629 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.13 5.87 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.537 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 6.0 mtm180 -64.24 -49.14 73.08 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.251 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 m -61.96 -43.84 98.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.42 . . . . 0.0 110.665 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 6.1 tp-100 -61.48 -49.4 76.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.431 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -61.77 -47.71 83.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.737 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.691 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 66.0 tttm -51.97 -44.85 64.19 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.474 0.484 . . . . 0.0 110.964 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.77 91.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.995 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.568 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 43.0 ttt180 -75.86 -35.9 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.003 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 24' ' ' ALA . 94.0 mt -59.21 -53.17 51.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.12 0.486 . . . . 0.0 110.779 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 49.3 mt-10 -69.79 -24.11 63.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.298 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -69.66 -40.83 76.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.954 0.407 . . . . 0.0 110.029 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 81.3 mt -64.85 -33.11 75.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.486 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.484 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.72 -36.8 83.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.16 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 36.7 mmt180 -66.02 -36.63 83.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.245 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -61.3 -40.76 95.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.516 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.25 -12.0 59.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.448 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 67.48 37.2 3.51 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.247 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -126.08 146.69 49.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.665 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.9 15.62 16.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.217 0.532 . . . . 0.0 110.64 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.507 HG12 ' HD3' ' A' ' 4' ' ' ARG . 66.5 mt -126.94 135.5 63.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.536 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 5' ' ' TRP . 20.2 m -103.25 138.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.239 0.542 . . . . 0.0 110.679 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 34.8 p -97.07 159.25 31.82 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.229 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.4 Cg_endo -60.41 -32.06 93.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.407 2.072 . . . . 0.0 112.007 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.09 -25.77 58.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.89 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.44 -41.66 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.117 0.484 . . . . 0.0 109.827 172.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG22 HD13 ' A' ' 28' ' ' ILE . 40.1 t -63.77 -42.6 96.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.648 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.522 ' CD ' HH12 ' A' ' 49' ' ' ARG . 51.8 tp10 -55.07 -57.28 12.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.966 174.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 58.4 tp60 -55.03 -47.17 75.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.347 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.3 82.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.673 0.273 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.594 ' HG3' HG12 ' A' ' 16' ' ' ILE . 1.1 tmm_? -76.57 -23.85 53.54 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -41.01 62.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.472 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 78.2 mm-40 -53.07 -54.42 35.81 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.776 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 23' ' ' GLN . 70.0 m-85 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.739 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.5 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.5 ' HD2' HG12 ' A' ' 39' ' ' ILE . 71.9 mtt180 -84.37 117.25 23.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.031 0.443 . . . . 0.0 109.842 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.564 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 47.7 m95 -99.6 125.26 45.38 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.888 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.8 p -71.85 157.96 36.93 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -57.95 -41.5 82.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.452 0.644 . . . . 0.0 109.956 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -60.93 -44.06 97.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.62 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.42 90.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.274 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 55.8 mtpt -57.65 -43.16 84.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.057 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.8 m -67.37 -39.37 85.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -63.65 -39.5 94.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.028 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.602 HD12 HD12 ' A' ' 16' ' ' ILE . 46.1 tp -60.52 -36.22 77.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.117 0.484 . . . . 0.0 110.495 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 97.5 mttt -69.22 -15.01 63.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.468 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -92.87 3.17 56.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.021 0.439 . . . . 0.0 110.83 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.602 HD12 HD12 ' A' ' 13' ' ' LEU . 56.8 mt -95.95 133.27 25.56 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.776 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -52.69 134.96 55.52 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.818 2.345 . . . . 0.0 111.676 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -53.18 -44.99 68.32 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -171.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -58.05 -27.62 63.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.51 9.22 13.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.975 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -72.72 -50.38 25.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.864 0.364 . . . . 0.0 110.698 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 m -66.55 -27.73 67.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.103 0.478 . . . . 0.0 110.157 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.96 -46.5 52.04 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.763 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.584 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -60.18 -43.16 96.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.224 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 63.7 tttm -51.3 -48.17 62.38 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.444 0.465 . . . . 0.0 110.985 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.8 -36.9 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.612 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 15.8 ttm180 -76.9 -38.03 54.32 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.869 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 24' ' ' ALA . 86.6 mt -58.34 -52.87 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.051 0.453 . . . . 0.0 110.699 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.02 -28.64 67.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.403 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -65.11 -44.16 89.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.229 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 83.8 mt -65.26 -31.91 73.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.779 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.517 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.41 -36.26 82.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.745 176.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -62.75 -37.48 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.308 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -71.49 -32.34 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.366 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.5 -4.61 54.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.98 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 64.78 35.29 8.79 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.908 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -133.92 143.52 48.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -86.5 -9.2 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.494 0.664 . . . . 0.0 109.971 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.5 HG12 ' HD2' ' A' ' 4' ' ' ARG . 45.6 mt -110.03 132.94 56.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.682 -177.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 32' ' ' ALA . 14.3 m -98.61 135.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.363 0.601 . . . . 0.0 110.457 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.508 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 24.9 p -99.27 161.24 25.32 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.018 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 17.9 Cg_endo -59.08 -23.18 67.7 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.555 2.17 . . . . 0.0 111.961 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.09 -42.4 80.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.273 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.427 HD13 ' OG1' ' A' ' 41' ' ' THR . 10.8 mp -66.58 -39.38 88.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.144 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.488 HG22 HD13 ' A' ' 28' ' ' ILE . 47.0 t -61.99 -45.1 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.199 0.523 . . . . 0.0 110.165 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.73 -53.64 56.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.084 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -52.91 -47.56 67.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.567 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -63.71 -34.54 78.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.625 0.25 . . . . 0.0 111.203 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.574 ' HD3' HG12 ' A' ' 16' ' ' ILE . 40.2 ttp180 -69.33 -39.71 78.02 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.888 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.433 ' HA ' HD13 ' A' ' 50' ' ' LEU . 3.1 mm? -73.27 -27.1 61.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.09 178.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 64.3 mm-40 -54.32 -53.21 56.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.725 -177.57 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -88.15 131.4 34.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.917 0.389 . . . . 0.0 110.333 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.643 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -109.18 131.1 55.39 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -175.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 p -71.58 159.34 34.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.953 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.3 m -56.14 -41.06 74.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.28 0.562 . . . . 0.0 110.32 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 3.2 mp0 -65.38 -45.44 84.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.65 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.0 90.95 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 64.9 mttm -55.71 -48.39 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m -60.7 -44.51 96.47 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HG3' ' CB ' ' A' ' 42' ' ' PRO . 1.5 mmmm -66.56 -32.96 74.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.421 -178.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 16' ' ' ILE . 59.3 tp -64.65 -35.42 80.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.998 0.427 . . . . 0.0 110.249 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 94.7 mttt -70.18 -16.38 63.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.48 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -82.25 -15.59 52.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.198 0.523 . . . . 0.0 110.25 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.577 HG12 ' HG3' ' A' ' 49' ' ' ARG . 59.2 mt -81.53 134.4 51.22 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.69 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.34 130.1 36.82 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.486 2.124 . . . . 0.0 111.523 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.53 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 92.1 t80 -52.23 -38.24 57.5 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.326 0.391 . . . . 0.0 111.996 -175.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -57.65 -27.73 63.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 111.24 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.57 8.19 11.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.382 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 8.7 mtm180 -66.06 -46.33 78.17 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.433 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -61.75 -41.02 97.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.204 0.526 . . . . 0.0 110.36 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -66.65 -48.29 69.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.703 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.6 -48.02 81.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.643 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 52.6 tttm -55.58 -39.64 70.96 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.468 0.48 . . . . 0.0 110.896 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.13 80.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.474 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 15.3 ttm180 -73.29 -39.75 65.09 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.133 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 24' ' ' ALA . 85.3 mt -54.3 -48.51 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.997 0.427 . . . . 0.0 111.091 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 60.3 mt-10 -71.8 -29.73 64.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.863 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -68.88 -37.66 79.17 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.828 0.347 . . . . 0.0 110.856 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 84.1 mt -62.29 -37.96 87.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 110.1 177.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -67.22 -32.83 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.725 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 5.2 mmp_? -66.6 -33.71 76.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.069 0.462 . . . . 0.0 109.881 174.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -65.8 -35.1 79.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.682 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.77 -8.14 56.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.958 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 65.11 29.17 12.11 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.156 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -110.38 143.36 40.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -88.32 -9.69 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.232 0.539 . . . . 0.0 110.067 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.8 mt -112.35 126.6 69.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.098 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 5' ' ' TRP . 19.6 m -93.47 142.79 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.163 0.506 . . . . 0.0 110.759 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.465 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 29.1 p -104.51 159.81 28.1 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.977 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.546 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 21.4 Cg_endo -59.14 -22.98 67.04 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.835 2.356 . . . . 0.0 112.196 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -64.04 -51.8 62.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.173 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.41 -35.07 79.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.665 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.32 -52.24 63.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.108 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.57 -33.29 62.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.461 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 25.4 tp60 -53.69 -50.59 65.53 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.609 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.06 -31.53 72.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.048 0.451 . . . . 0.0 110.626 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.577 ' HG3' HG12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.07 -38.31 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.682 -178.106 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -40.25 78.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.945 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 47' ' ' GLN . 50.0 mt-10 -56.82 -48.65 77.53 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.435 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 45.1 m-85 . . . . . 0 C--N 1.328 -0.36 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.149 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.7 mt . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.834 0.35 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.416 ' HD3' HG12 ' A' ' 39' ' ' ILE . 37.5 ttt180 -81.82 107.74 14.79 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 48.1 m95 -90.09 124.03 34.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p -70.24 161.29 30.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.766 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.5 t -61.14 -36.99 81.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.066 0.46 . . . . 0.0 109.931 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -65.62 -44.32 86.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.27 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.27 -45.63 93.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.834 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -58.03 -41.08 82.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.618 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -63.88 -48.5 76.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.683 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -64.29 -35.7 81.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.662 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.53 -32.23 73.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 110.154 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -76.34 -4.39 41.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.238 177.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.53 -8.38 50.47 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.299 0.571 . . . . 0.0 109.603 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.6 mt -97.25 124.89 47.62 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.156 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -52.12 133.56 47.3 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.847 2.365 . . . . 0.0 111.82 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.463 ' HA ' ' HB3' ' A' ' 21' ' ' ARG . 53.1 p90 -57.43 -27.0 62.02 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.88 -35.25 76.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.959 0.409 . . . . 0.0 110.991 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.18 -5.94 13.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.019 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' HB3' ' HA ' ' A' ' 18' ' ' PHE . 59.4 ttt180 -64.12 -37.07 86.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.41 -176.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.8 p -63.97 -44.55 92.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.198 0.523 . . . . 0.0 110.252 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -66.15 -43.69 86.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.274 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.525 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -64.28 -43.05 96.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.282 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 63.5 tttm -56.13 -43.99 78.75 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.175 0.297 . . . . 0.0 110.672 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.94 86.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.599 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.57 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 19.4 tpt180 -70.08 -45.5 66.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.854 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.0 mt -56.17 -51.56 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 111.035 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.678 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 56.6 mt-10 -67.77 -32.35 72.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.497 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -65.18 -42.09 94.0 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.984 0.421 . . . . 0.0 110.029 175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 80.6 mt -60.62 -38.67 85.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.28 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -65.75 -40.57 92.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.607 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.678 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 87.4 mtt-85 -60.5 -40.69 92.29 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -65.38 -39.56 92.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.172 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.24 -6.73 54.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.049 0.452 . . . . 0.0 110.729 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.27 24.87 10.6 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.768 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -110.22 140.06 44.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.611 175.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.64 0.01 57.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.244 0.545 . . . . 0.0 110.215 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.416 HG12 ' HD3' ' A' ' 4' ' ' ARG . 41.8 mt -113.04 133.35 59.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.211 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 5' ' ' TRP . 20.1 m -98.29 134.64 36.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.359 0.6 . . . . 0.0 110.339 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -100.87 155.36 36.41 Favored Pre-proline 0 C--N 1.313 -0.979 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.213 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.12 -30.98 94.61 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.928 2.418 . . . . 0.0 113.65 -173.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -24.09 51.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.603 0.239 . . . . 0.0 111.358 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.29 -37.86 68.9 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.076 0.465 . . . . 0.0 109.751 171.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.483 HG22 HG21 ' A' ' 28' ' ' ILE . 80.8 t -61.29 -45.4 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.09 175.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -71.2 -35.9 71.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.396 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.5 OUTLIER -54.62 -51.35 65.65 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.661 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.28 70.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.05 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -66.6 -40.99 89.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.571 0.7 . . . . 0.0 109.375 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -29.53 62.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.725 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 44.0 mm-40 -54.99 -51.89 64.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.137 174.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.182 -177.512 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.537 HD11 ' HG3' ' A' ' 33' ' ' ARG . 33.6 mt . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.029 0.442 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 39' ' ' ILE . 53.0 mtt180 -92.47 120.16 32.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.838 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.55 ' HA ' HG22 ' A' ' 40' ' ' VAL . 32.7 m95 -103.1 135.31 45.0 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.847 -173.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.1 p -73.74 155.89 38.43 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -57.85 -38.07 75.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.102 0.477 . . . . 0.0 110.849 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 42' ' ' PRO . 44.4 mt-10 -72.29 -33.68 67.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.894 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -39.28 83.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 110.446 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 6' ' ' THR . 65.0 mttm -59.92 -44.79 94.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.791 175.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.0 m -61.34 -45.69 93.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.729 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -64.33 -38.51 91.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.399 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.74 -44.73 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.994 0.426 . . . . 0.0 110.256 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -69.46 -12.46 61.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.193 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -79.64 -20.49 46.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.386 0.613 . . . . 0.0 109.552 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.552 HG12 ' HD3' ' A' ' 49' ' ' ARG . 55.3 mt -86.0 133.76 40.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.062 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.6 134.47 53.2 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.057 2.505 . . . . 0.0 112.14 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -47.65 -42.43 24.47 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.594 0.559 . . . . 0.0 112.29 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.28 -33.39 67.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.567 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.12 -0.41 15.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.732 0.301 . . . . 0.0 111.152 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -69.72 -46.18 66.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.989 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -63.81 -37.47 87.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.16 0.505 . . . . 0.0 110.269 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -67.9 -46.71 70.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.616 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.564 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -63.76 -42.59 97.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.349 176.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 47.6 tttm -55.76 -42.39 75.4 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.258 0.349 . . . . 0.0 110.823 177.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.89 79.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.546 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 16.3 mtp180 -75.65 -34.28 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.606 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.4 mt -62.78 -52.03 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.972 0.415 . . . . 0.0 110.634 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.44 -25.87 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.622 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.469 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 34.6 tt0 -64.58 -48.2 75.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.221 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 75.6 mt -60.51 -38.73 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.273 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -75.34 -38.26 60.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.467 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HG3' HD11 ' A' ' 3' ' ' LEU . 58.5 mtm180 -71.9 -19.69 61.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.038 0.447 . . . . 0.0 110.145 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -74.5 -32.53 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.459 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.52 -6.73 58.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.267 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 63.55 52.6 2.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.184 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.55 170.28 16.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.117 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 8.6 m-20 -96.55 -28.59 14.31 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 -176.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 51.1 mt -102.01 138.99 24.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.267 -171.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 5' ' ' TRP . 12.0 m -106.66 141.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.23 0.538 . . . . 0.0 110.079 176.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.3 p -104.24 155.95 36.48 Favored Pre-proline 0 C--N 1.317 -0.809 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.374 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HG3' ' HB2' ' A' ' 8' ' ' GLU . 53.4 Cg_exo -51.19 -30.96 34.49 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.844 2.363 . . . . 0.0 112.93 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -61.5 -43.02 99.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.06 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.67 -35.04 78.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.74 0.305 . . . . 0.0 110.785 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.456 HG22 HD13 ' A' ' 28' ' ' ILE . 57.4 t -64.47 -45.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.211 0.529 . . . . 0.0 109.734 175.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.437 ' CD ' HH21 ' A' ' 49' ' ' ARG . 8.4 tp10 -59.91 -45.16 93.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.999 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -55.05 -41.07 70.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.774 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.25 90.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.552 ' HD3' HG12 ' A' ' 16' ' ' ILE . 50.6 ttp180 -74.5 -33.32 62.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -45.45 94.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.79 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.67 -46.46 84.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.115 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 111.198 -179.591 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.441 ' O ' ' HD1' ' A' ' 5' ' ' TRP . 52.3 mt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.916 0.388 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -81.26 108.35 14.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.407 0.623 . . . . 0.0 109.942 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.524 ' HA ' HG22 ' A' ' 40' ' ' VAL . 37.1 m95 -99.64 129.71 45.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.087 -178.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 p -78.29 158.84 28.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 t -60.12 -35.92 76.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.949 0.404 . . . . 0.0 110.021 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 2.2 mp0 -61.97 -46.33 89.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.708 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -63.69 -47.07 82.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.128 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 60.6 mtpt -57.78 -39.01 76.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.071 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.3 m -66.87 -40.54 87.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.402 . . . . 0.0 110.636 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -62.8 -39.42 94.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.682 177.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.56 HD12 HD12 ' A' ' 16' ' ' ILE . 47.1 tp -63.01 -36.9 85.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.761 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 63.2 mttm -65.66 -26.96 68.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.961 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -82.29 -7.4 59.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.065 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.56 HD12 HD12 ' A' ' 13' ' ' LEU . 58.6 mt -84.14 132.28 48.41 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.755 174.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.24 148.23 71.63 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.876 2.384 . . . . 0.0 112.458 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -55.5 -34.36 64.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.593 -177.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -63.79 -19.53 65.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.69 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.35 8.68 8.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.659 0.266 . . . . 0.0 111.116 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -59.63 -46.93 87.52 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.5 t -77.51 -41.04 40.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.852 0.358 . . . . 0.0 110.079 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -59.76 -45.06 93.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.75 -45.81 73.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.3 tttm -55.97 -46.68 78.57 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.744 0.307 . . . . 0.0 110.541 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.5 88.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.718 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.596 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 20.0 tpt180 -64.7 -51.6 61.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.711 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.502 HG21 HG22 ' A' ' 45' ' ' VAL . 62.6 mt -56.24 -51.75 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.611 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 49.9 mt-10 -65.19 -32.28 73.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.876 -176.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 48.2 mt-30 -72.49 -35.47 68.18 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.667 174.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 96.3 mt -61.74 -31.77 71.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 110.343 175.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -68.62 -40.38 80.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.501 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 21.4 mtp-105 -64.4 -36.6 84.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.124 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 85.3 mt-30 -67.15 -26.51 66.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.105 0.479 . . . . 0.0 110.154 174.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.55 -1.35 57.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.131 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 71.2 23.73 4.01 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.617 0.573 . . . . 0.0 111.693 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -127.11 152.09 47.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.566 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -99.6 1.39 43.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.179 0.514 . . . . 0.0 110.021 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -108.57 131.61 58.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.496 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 5' ' ' TRP . 17.0 m -98.03 132.45 42.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.266 0.555 . . . . 0.0 109.713 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.4 p -94.18 159.63 33.76 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.694 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.86 -25.55 69.9 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.094 1.862 . . . . 0.0 110.911 175.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.75 -54.65 44.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.287 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.4 -42.72 99.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.258 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.502 HG22 HG21 ' A' ' 28' ' ' ILE . 56.7 t -60.8 -47.68 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.84 -33.87 66.44 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.177 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -58.34 -48.09 81.67 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.11 72.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.449 0.642 . . . . 0.0 110.321 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -75.06 -25.57 58.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.285 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 -48.67 12.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.518 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -64.85 -35.45 81.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.676 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.417 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 22.0 m-30 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.989 0.424 . . . . 0.0 109.927 175.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.574 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 90.1 mt . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.747 0.308 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.813 HH21 ' HB3' ' A' ' 38' ' ' ASP . 85.0 mtm180 -81.94 116.6 21.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.502 0.668 . . . . 0.0 111.134 178.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.576 ' HA ' HG22 ' A' ' 40' ' ' VAL . 41.6 m95 -98.48 127.59 44.47 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.524 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.0 p -68.03 157.69 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.979 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -57.14 -37.6 72.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.904 0.383 . . . . 0.0 110.99 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.45 -41.33 76.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.703 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.48 96.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.782 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HE2' ' O ' ' A' ' 5' ' ' TRP . 68.8 mttm -59.25 -45.9 89.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.806 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 m -64.75 -44.92 88.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -63.04 -35.56 80.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.591 HD12 HD12 ' A' ' 16' ' ' ILE . 53.4 tp -63.95 -38.27 90.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.721 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -64.93 -23.83 67.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -71.28 -24.23 62.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.16 0.505 . . . . 0.0 110.812 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.591 HD12 HD12 ' A' ' 13' ' ' LEU . 59.3 mt -75.89 130.42 78.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.084 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.11 133.84 42.09 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.878 2.385 . . . . 0.0 112.236 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -50.5 -38.34 43.66 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.457 0.473 . . . . 0.0 111.817 -176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -57.46 -27.78 62.78 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.493 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.82 -15.65 10.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -58.24 -46.64 85.58 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -174.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 m -60.31 -44.63 95.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.3 0.571 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -69.35 -36.95 77.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.809 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.57 -38.59 84.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.53 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.8 tttm -56.56 -49.14 75.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 0.0 110.275 177.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.7 69.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.931 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -73.11 -47.92 40.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.441 177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.544 ' HA ' HD12 ' A' ' 31' ' ' LEU . 83.4 mt -59.93 -47.35 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.6 -28.37 65.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.769 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -70.98 -35.17 72.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.011 0.434 . . . . 0.0 109.882 173.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 28' ' ' ILE . 69.0 mt -63.46 -39.64 95.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.101 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.33 -40.23 89.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.508 175.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -57.2 -42.59 81.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.922 0.391 . . . . 0.0 110.789 174.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -67.77 -38.58 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.556 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.47 -11.63 60.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.601 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 69.17 31.42 4.01 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.456 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -126.37 162.12 26.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.668 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.813 ' HB3' HH21 ' A' ' 4' ' ' ARG . 9.9 t70 -101.78 -26.73 13.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.424 0.63 . . . . 0.0 110.161 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.41 120.73 39.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.477 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 5' ' ' TRP . 16.6 m -93.94 136.52 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.434 0.635 . . . . 0.0 110.767 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.7 p -98.71 159.7 29.74 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.596 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.57 -21.46 62.35 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.283 1.988 . . . . 0.0 111.49 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.56 -50.65 73.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.509 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.91 -35.32 79.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.625 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.452 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 97.0 t -58.77 -54.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.919 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.38 -38.74 92.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.085 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -52.52 62.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.598 -178.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.05 73.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.027 0.441 . . . . 0.0 110.648 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -67.29 -34.86 78.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -65.06 -45.38 85.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.053 178.163 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.98 -48.58 81.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.042 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 63.0 m-85 . . . . . 0 C--O 1.236 0.376 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.026 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 120.793 0.33 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.463 ' HB2' HG12 ' A' ' 39' ' ' ILE . 47.4 mtt180 -82.85 115.96 21.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.234 0.54 . . . . 0.0 110.482 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.493 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 43.3 m95 -98.19 129.39 44.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.967 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 54.5 p -75.98 165.24 25.25 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.2 m -58.26 -41.09 83.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.54 -37.61 74.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.813 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.37 98.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.713 0.292 . . . . 0.0 110.877 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HE2' ' O ' ' A' ' 5' ' ' TRP . 64.0 mttm -57.17 -45.25 83.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.353 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -64.76 -43.03 94.62 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.16 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -61.05 -41.87 97.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.279 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD12 HD12 ' A' ' 16' ' ' ILE . 49.3 tp -61.49 -38.27 86.7 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.89 0.376 . . . . 0.0 110.407 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -73.74 -8.3 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.743 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -90.33 -10.96 42.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.143 0.496 . . . . 0.0 110.523 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.47 HD12 HD12 ' A' ' 13' ' ' LEU . 63.4 mt -83.77 132.53 48.59 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.805 177.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.32 135.67 54.11 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.739 2.293 . . . . 0.0 112.069 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -50.24 -39.47 44.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.971 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -61.45 -24.41 66.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.74 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.17 2.11 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -68.54 -45.41 72.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.593 0.235 . . . . 0.0 111.21 -174.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -62.11 -39.52 92.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.296 0.569 . . . . 0.0 110.145 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -67.35 -46.7 72.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.166 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.578 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.49 -44.11 97.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HA ' HD12 ' A' ' 28' ' ' ILE . 43.1 tttp -54.62 -43.32 72.15 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.248 0.342 . . . . 0.0 111.082 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.75 89.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.612 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.52 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 13.1 tpt180 -70.4 -41.02 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.655 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 24' ' ' ALA . 80.8 mt -56.91 -52.85 50.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.034 0.445 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.53 -22.88 63.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.512 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -70.59 -45.42 65.38 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 72.8 mt -59.46 -39.42 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.759 179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.957 0.408 . . . . 0.0 110.804 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -65.84 -26.68 67.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.29 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.12 -35.66 78.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.981 0.42 . . . . 0.0 110.003 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.34 -5.53 59.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.75 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 68.72 32.98 3.93 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.924 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -121.37 144.41 48.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.777 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.66 12.37 32.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.019 0.438 . . . . 0.0 110.094 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.463 HG12 ' HB2' ' A' ' 4' ' ' ARG . 63.7 mt -122.2 135.25 62.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.434 178.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 5' ' ' TRP . 11.9 m -106.47 142.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.334 0.588 . . . . 0.0 110.358 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 37.8 p -107.34 162.65 19.03 Favored Pre-proline 0 C--N 1.315 -0.904 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.572 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.3 Cg_endo -59.31 -24.26 73.54 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.185 1.923 . . . . 0.0 111.392 176.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.89 -49.08 77.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.843 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.21 -39.31 78.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.67 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 28' ' ' ILE . 44.5 t -58.85 -46.18 91.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.178 177.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -58.47 -53.11 62.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.215 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 61.7 mm-40 -55.92 -43.95 77.84 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.41 -179.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.28 88.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.836 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -67.31 -38.61 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -33.63 74.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 13.1 mm-40 -59.4 -46.59 88.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.056 0.455 . . . . 0.0 110.331 175.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 82.7 m-85 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.62 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.69 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 65.1 mt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.444 0.164 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -77.14 105.04 7.98 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.257 0.551 . . . . 0.0 110.532 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.597 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 52.5 m95 -86.09 124.97 33.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.296 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.5 p -71.31 155.74 40.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.8 m -56.45 -37.62 70.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.959 0.409 . . . . 0.0 111.038 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.16 -37.63 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.61 88.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.326 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -58.91 -42.72 90.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.908 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.6 m -66.97 -35.91 81.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.104 0.478 . . . . 0.0 110.73 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -71.68 -37.35 70.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.32 -41.74 98.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.887 0.375 . . . . 0.0 110.094 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.83 -14.33 61.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.97 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -76.91 -25.52 53.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.402 HG12 ' HD3' ' A' ' 49' ' ' ARG . 66.4 mt -80.38 134.38 55.15 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.814 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -50.78 137.29 42.71 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.056 2.504 . . . . 0.0 112.22 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -57.83 -25.26 60.39 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.96 0.409 . . . . 0.0 111.101 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -64.4 -30.39 71.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.191 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.95 7.39 9.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -71.58 -44.69 64.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.495 -174.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -67.4 -37.01 82.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.024 0.44 . . . . 0.0 109.848 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 6.1 tp-100 -62.26 -46.35 89.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.043 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.52 -42.7 99.69 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.845 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.597 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.9 tttm -53.92 -45.51 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.877 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.41 89.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.867 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 11.2 mmt85 -67.6 -49.59 62.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.495 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.492 ' HA ' HD12 ' A' ' 31' ' ' LEU . 71.0 mt -57.92 -47.12 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.544 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -70.95 -25.08 62.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.81 -44.43 73.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 59.0 mt -59.31 -42.86 92.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.784 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.5 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -67.32 -41.6 85.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.36 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -68.11 -25.39 65.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.995 0.426 . . . . 0.0 110.572 176.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -72.49 -34.98 68.06 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.2 -3.65 55.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.048 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 70.13 25.98 4.57 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.125 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -121.52 161.21 22.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.326 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.69 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 18.8 t70 -106.08 -14.41 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.265 0.555 . . . . 0.0 110.183 -178.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.4 mt -98.66 123.93 51.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.478 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 5' ' ' TRP . 13.3 m -97.72 135.54 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.175 0.512 . . . . 0.0 110.318 177.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.2 p -101.96 157.85 32.89 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.524 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.27 -27.9 77.23 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.578 2.185 . . . . 0.0 112.805 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.8 -44.0 97.42 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 120.583 0.23 . . . . 0.0 110.704 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.47 -36.2 80.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.802 0.334 . . . . 0.0 110.703 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.438 HG22 HD13 ' A' ' 28' ' ' ILE . 48.4 t -65.29 -45.36 93.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.238 0.542 . . . . 0.0 110.089 176.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -43.57 98.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.112 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -54.36 -49.42 69.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.365 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -61.71 -35.59 78.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.047 0.451 . . . . 0.0 110.748 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.402 ' HD3' HG12 ' A' ' 16' ' ' ILE . 28.0 tpt85 -69.62 -36.49 76.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.003 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.49 -32.8 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.527 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 47.6 mm-40 -56.04 -47.38 77.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.18 0.514 . . . . 0.0 109.719 171.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.944 -179.116 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.9 mt . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -87.46 120.13 28.45 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.404 0.621 . . . . 0.0 110.764 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.644 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -102.36 130.28 49.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.092 -175.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 35.4 p -70.19 157.47 37.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.564 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 22.7 t -59.13 -31.35 68.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.232 0.539 . . . . 0.0 110.097 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -70.06 -44.97 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.816 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.25 96.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.091 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 6' ' ' THR . 63.3 mttm -55.9 -51.6 67.03 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.024 0.44 . . . . 0.0 110.311 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 m -64.12 -39.46 94.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.057 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -62.56 -39.59 94.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.342 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.608 HD12 HD12 ' A' ' 16' ' ' ILE . 55.8 tp -61.94 -37.13 83.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 91.3 mttt -68.94 -16.14 63.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.39 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -76.13 -27.05 56.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.156 0.503 . . . . 0.0 110.206 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.608 HD12 HD12 ' A' ' 13' ' ' LEU . 55.1 mt -72.77 130.07 85.89 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.643 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.89 138.87 69.73 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.949 2.433 . . . . 0.0 112.334 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -56.58 -25.27 52.0 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.322 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -63.19 -26.72 68.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.256 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 12.01 4.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.72 -175.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -69.99 -49.15 54.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -172.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -68.95 -31.14 69.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -68.46 -45.5 72.29 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.524 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -64.83 -42.98 94.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.6 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.644 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 88.3 tttt -53.94 -43.34 69.73 Favored 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.269 0.356 . . . . 0.0 110.579 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.0 93.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.165 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 24.6 ttm180 -70.12 -37.79 75.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 24' ' ' ALA . 82.4 mt -59.93 -49.88 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.792 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 50.3 mt-10 -67.68 -29.25 68.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.038 0.447 . . . . 0.0 110.201 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.26 -45.44 84.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.276 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 71.7 mt -61.3 -37.42 83.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.494 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -68.09 -30.42 69.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 11.1 mmm180 -67.0 -38.24 85.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 0.0 110.055 175.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -72.67 -32.69 66.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.148 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.27 -14.09 60.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.084 175.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 61.5 57.64 2.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.707 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -148.81 158.26 44.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.412 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -98.91 -14.14 19.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.768 0.318 . . . . 0.0 110.4 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.6 mt -108.63 124.87 65.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.223 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 5' ' ' TRP . 19.4 m -93.45 137.68 22.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.421 0.629 . . . . 0.0 110.776 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.527 ' HB ' ' OE1' ' A' ' 43' ' ' GLU . 2.6 p -98.81 155.48 36.61 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.379 177.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.38 -31.54 77.82 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.822 2.348 . . . . 0.0 112.588 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.527 ' OE1' ' HB ' ' A' ' 41' ' ' THR . 5.1 mp0 -60.69 -40.93 94.01 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.07 -34.84 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 110.33 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 28' ' ' ILE . 62.1 t -63.98 -46.65 93.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.216 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' OE2' ' HD3' ' A' ' 49' ' ' ARG . 4.7 tp10 -64.21 -39.75 94.63 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.99 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -52.67 -52.58 55.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.812 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.4 74.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.978 0.418 . . . . 0.0 110.881 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD3' ' OE2' ' A' ' 46' ' ' GLU . 54.7 ttt180 -71.93 -36.22 69.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.216 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -42.16 95.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.436 176.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 42.5 mm-40 -52.49 -58.86 5.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.109 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.401 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 76.0 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.91 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.56 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 42.5 mt . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -80.29 110.78 16.05 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.674 0.75 . . . . 0.0 111.177 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.581 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 51.0 m95 -95.69 122.22 38.23 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.905 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.9 p -69.18 155.31 40.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.594 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.0 p -57.88 -34.39 69.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.273 0.558 . . . . 0.0 110.538 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -70.58 -39.67 73.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.438 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.89 89.88 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.014 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 6' ' ' THR . 95.1 mttt -54.46 -45.3 73.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.565 175.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -62.49 -40.11 95.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.086 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -67.35 -39.47 85.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.064 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.64 HD12 HD12 ' A' ' 16' ' ' ILE . 29.9 tp -63.83 -32.11 73.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.144 0.497 . . . . 0.0 110.359 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -75.6 -6.87 52.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.344 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -88.69 -12.73 41.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.229 175.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.64 HD12 HD12 ' A' ' 13' ' ' LEU . 45.0 mt -88.64 133.85 35.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.815 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.92 129.57 33.65 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.643 2.229 . . . . 0.0 111.678 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -51.67 -31.79 27.11 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -63.9 -35.89 82.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.387 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.9 6.18 16.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.968 0.414 . . . . 0.0 110.758 -176.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.542 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 20.7 ttm180 -67.99 -47.21 69.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.453 ' HA ' ' HB3' ' A' ' 25' ' ' LYS . 26.3 m -69.37 -31.72 70.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.511 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.31 -50.05 71.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.913 175.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.5 -43.14 99.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.03 176.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 35.6 tttp -57.05 -41.01 77.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.561 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 30' ' ' GLN . . . -61.28 -38.94 88.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.919 0.39 . . . . 0.0 110.723 176.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.496 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 35.9 ttt85 -72.58 -40.47 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 177.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 24' ' ' ALA . 80.7 mt -57.5 -52.33 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 110.793 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 52.7 mt-10 -67.91 -25.06 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.63 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 26' ' ' ALA . 1.2 tp-100 -73.16 -41.2 64.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.211 176.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 39.7 mt -59.34 -43.69 92.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.311 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.25 -36.04 78.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.975 177.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.633 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 44.2 mtp180 -67.59 -32.95 74.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.939 177.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -69.64 -24.1 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.147 0.499 . . . . 0.0 109.992 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.22 -9.18 46.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.41 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 4.5 mm-40 62.13 44.67 7.68 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.354 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -132.95 148.83 52.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.645 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.56 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 14.2 t70 -88.75 -21.3 23.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.478 0.656 . . . . 0.0 109.434 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.5 mt -90.86 122.9 42.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.805 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 5' ' ' TRP . 19.7 m -97.09 135.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.403 0.621 . . . . 0.0 110.129 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.454 ' HB ' ' OE1' ' A' ' 43' ' ' GLU . 26.5 p -98.0 154.38 37.78 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.097 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.505 ' HG2' ' OE2' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -58.46 -26.19 76.97 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.59 2.193 . . . . 0.0 112.124 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.505 ' OE2' ' HG2' ' A' ' 42' ' ' PRO . 4.7 mp0 -59.38 -42.72 92.33 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.09 176.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -70.15 -38.96 75.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.73 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.404 HG13 HD13 ' A' ' 28' ' ' ILE . 51.4 t -61.35 -49.96 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 110.388 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.72 -43.31 96.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.287 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 60.5 tp60 -54.41 -50.28 67.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.43 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.423 ' HA ' ' CG ' ' A' ' 51' ' ' GLU . . . -62.8 -29.96 71.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.246 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -72.17 -30.93 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 50' ' ' LEU . 2.7 mm? -78.14 -32.37 50.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.605 176.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 9.7 mm-40 -52.85 -48.42 67.06 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 -179.305 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 48.9 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.551 ' HD3' HG12 ' A' ' 39' ' ' ILE . 21.0 ttt180 -73.76 96.6 2.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.544 0.688 . . . . 0.0 110.319 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.669 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 53.8 m95 -82.3 123.52 29.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.499 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 20.9 p -68.06 155.27 39.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 m -57.95 -36.21 72.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.925 0.393 . . . . 0.0 111.263 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -74.51 -36.64 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.115 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.81 -41.77 97.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.375 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 6' ' ' THR . 57.4 mtpt -58.44 -45.31 88.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.507 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.3 m -64.61 -42.15 95.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.563 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -60.88 -42.25 97.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.163 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.468 HD12 HD12 ' A' ' 16' ' ' ILE . 55.5 tp -60.5 -37.77 82.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.756 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -71.98 -8.2 53.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.332 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -95.66 2.31 54.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.091 0.472 . . . . 0.0 110.341 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.468 HD12 HD12 ' A' ' 13' ' ' LEU . 63.2 mt -96.34 132.16 27.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.592 173.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.77 141.3 28.21 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.212 2.608 . . . . 0.0 112.658 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -49.34 -47.59 47.19 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -57.81 -31.58 66.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.953 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.16 1.02 14.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.586 -176.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -66.85 -40.28 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 p -71.94 -40.89 68.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.737 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -63.37 -47.72 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.485 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.511 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.45 -42.91 99.8 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.693 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.669 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 59.8 tttm -52.25 -44.67 65.02 Favored 'General case' 0 C--O 1.231 0.082 0 O-C-N 123.235 0.334 . . . . 0.0 110.722 177.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 30' ' ' GLN . . . -60.32 -43.9 95.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.555 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.569 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 8.7 mmm180 -68.3 -39.49 82.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.608 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.523 HD13 HG22 ' A' ' 45' ' ' VAL . 87.2 mt -61.37 -47.17 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.202 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -67.68 -28.45 67.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.047 0.451 . . . . 0.0 110.557 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 15.9 mm100 -75.71 -34.57 60.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.571 175.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 98.0 mt -64.61 -34.58 78.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 174.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -67.14 -38.6 85.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.279 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' HD3' ' HA ' ' A' ' 33' ' ' ARG . 24.1 mmt180 -70.38 -25.35 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.846 176.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -76.84 -30.28 56.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.24 0.543 . . . . 0.0 109.604 174.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.22 -5.5 59.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.251 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 62.76 42.05 8.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.313 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -144.2 155.49 43.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.021 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 19.2 t70 -90.64 -23.19 20.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.409 0.623 . . . . 0.0 110.209 -177.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.551 HG12 ' HD3' ' A' ' 4' ' ' ARG . 37.5 mt -86.37 118.04 31.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.354 -177.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.654 HG22 ' HA ' ' A' ' 5' ' ' TRP . 3.8 m -92.7 138.79 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.9 p -104.67 161.84 21.61 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.213 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -58.73 -22.08 59.56 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.268 1.979 . . . . 0.0 111.664 175.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.42 -48.71 80.6 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.185 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.34 -40.94 81.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.906 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.523 HG22 HD13 ' A' ' 28' ' ' ILE . 31.6 t -63.16 -43.51 98.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.339 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -57.88 -52.99 63.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.357 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.593 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 2.7 mm-40 -53.19 -46.56 69.03 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.464 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.06 90.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.063 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HD3' HG12 ' A' ' 16' ' ' ILE . 42.9 ttp180 -74.07 -30.37 62.35 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.284 0.564 . . . . 0.0 109.568 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -42.36 88.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.461 177.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 18.2 mm-40 -54.12 -57.25 11.81 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.571 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.839 -178.478 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.87 0.367 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -85.59 115.03 23.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.018 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.579 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 46.1 m95 -97.82 123.86 41.96 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.426 -177.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 p -68.78 152.65 45.04 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.8 t -59.24 -35.45 73.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.968 0.413 . . . . 0.0 110.291 -176.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.17 -35.91 74.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.748 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.6 82.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.467 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -57.65 -41.74 82.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.553 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -61.74 -47.4 85.37 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.568 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -59.27 -42.2 90.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.298 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' HG ' ' NH1' ' A' ' 21' ' ' ARG . 47.8 tp -60.87 -34.68 74.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.003 -178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -76.82 -17.77 58.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.763 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -90.17 -6.2 55.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.943 0.401 . . . . 0.0 110.689 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.5 mt -82.46 132.17 53.28 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.865 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.57 145.91 56.25 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.203 2.602 . . . . 0.0 112.584 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.52 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 88.6 t80 -55.7 -38.01 69.13 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.626 -177.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -57.77 -32.45 67.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.97 -2.95 22.28 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.697 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.52 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 6.6 mmm180 -53.35 -58.97 5.24 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.7 t -67.47 -37.5 82.99 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.981 0.419 . . . . 0.0 110.691 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -67.14 -44.15 80.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.759 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.23 -52.15 50.61 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.967 -178.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 59.8 tttm -52.35 -45.32 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.332 0.395 . . . . 0.0 110.805 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' A' ' 30' ' ' GLN . . . -55.82 -51.19 68.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.759 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -69.26 -38.85 78.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.384 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 24' ' ' ALA . 97.6 mt -57.27 -47.88 83.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.971 0.415 . . . . 0.0 110.497 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 51.5 mt-10 -69.66 -26.1 64.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 96.3 mt-30 -72.67 -38.02 67.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.094 0.474 . . . . 0.0 109.834 173.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 28' ' ' ILE . 83.2 mt -62.48 -31.08 71.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.409 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.558 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -70.78 -37.05 73.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.42 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 50.2 mtt180 -64.75 -37.12 86.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.457 0.646 . . . . 0.0 109.456 174.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -66.14 -35.93 81.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.329 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.24 -4.78 59.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.783 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.52 57.81 2.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.818 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -153.45 156.54 38.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.552 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -83.91 -11.64 56.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.257 0.551 . . . . 0.0 110.101 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.1 mt -105.42 138.81 28.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.802 -173.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.579 HG22 ' HA ' ' A' ' 5' ' ' TRP . 13.3 m -104.69 134.84 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 p -101.19 155.96 35.72 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.291 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.418 ' HG2' ' OE2' ' A' ' 43' ' ' GLU . 11.1 Cg_endo -56.75 -25.26 59.7 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.485 2.123 . . . . 0.0 112.18 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' OE2' ' HG2' ' A' ' 42' ' ' PRO . 2.9 mp0 -58.98 -46.91 86.95 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 110.538 175.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.95 -35.79 79.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.783 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.43 -44.47 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.121 0.486 . . . . 0.0 109.835 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -61.18 -50.3 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.102 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -52.01 -54.35 30.97 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.411 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.81 75.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.966 0.412 . . . . 0.0 110.621 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 49' ' ' ARG . 41.5 ttt-85 -65.94 -47.51 74.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.497 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -33.29 68.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.557 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -53.96 -49.58 68.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.027 0.441 . . . . 0.0 110.343 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.449 -179.062 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 38' ' ' ASP . 93.8 mt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.907 0.384 . . . . 0.0 111.602 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.55 ' HD3' HG12 ' A' ' 39' ' ' ILE . 79.2 ttt180 -84.71 125.6 32.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.648 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.587 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 51.3 m95 -103.83 128.22 51.28 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.502 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.6 p -72.99 167.95 20.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.562 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -37.72 74.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.942 0.401 . . . . 0.0 110.656 177.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -72.5 -40.82 66.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.958 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.81 94.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.977 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -61.36 -45.3 94.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.386 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.5 m -64.13 -46.2 85.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.732 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.481 ' HB3' HG11 ' A' ' 45' ' ' VAL . 58.1 mmtt -57.37 -45.15 84.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.449 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.9 -35.01 79.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 0.0 110.858 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -75.83 -21.82 56.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -81.19 -7.11 59.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.606 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.457 HG12 ' HD2' ' A' ' 49' ' ' ARG . 11.1 mt -91.23 128.54 46.9 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.799 176.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -40.77 134.72 2.31 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.671 2.914 . . . . 0.0 113.004 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -49.87 -46.75 51.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.021 -173.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -66.68 -19.03 65.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.863 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.96 -3.16 15.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.657 0.265 . . . . 0.0 111.126 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -72.51 -42.01 65.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.194 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 m -61.98 -44.36 96.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.275 0.56 . . . . 0.0 110.04 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.69 -36.5 82.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.584 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.95 -44.43 80.61 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.761 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.0 tttm -56.63 -40.16 74.9 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.167 0.292 . . . . 0.0 110.814 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.27 97.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.014 0.435 . . . . 0.0 110.649 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.608 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -64.3 -47.22 80.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.392 177.31 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.523 HD13 HG22 ' A' ' 45' ' ' VAL . 88.9 mt -60.88 -51.18 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.967 -176.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -65.37 -29.23 69.93 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.611 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -69.49 -40.73 76.85 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 88.9 mt -64.31 -38.95 92.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.392 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.6 -36.49 82.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 177.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -66.77 -31.2 71.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.031 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -64.98 -41.33 95.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 174.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.5 -11.94 60.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.507 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 63.54 38.96 9.36 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.096 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -128.78 166.15 19.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.93 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.506 ' HA ' HD22 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -98.76 -12.61 20.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 0.0 111.337 -176.7 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.55 HG12 ' HD3' ' A' ' 4' ' ' ARG . 45.9 mt -105.32 125.79 60.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.331 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' ' 5' ' ' TRP . 10.5 m -92.54 141.0 15.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.4 p -103.92 159.68 28.52 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.077 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.83 -25.25 75.7 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.259 1.972 . . . . 0.0 111.005 175.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.61 -47.96 82.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.683 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -69.24 -35.99 76.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.779 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.523 HG22 HD13 ' A' ' 28' ' ' ILE . 42.3 t -63.65 -46.0 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 0.0 110.058 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -62.89 -44.06 97.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.76 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 53.9 tp60 -55.01 -47.27 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.698 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.33 79.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.152 0.501 . . . . 0.0 110.931 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.506 ' HE ' ' HA ' ' A' ' 49' ' ' ARG . 1.5 tpm_? -68.9 -38.9 79.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.657 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -39.7 94.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.892 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 9.1 mm-40 -52.68 -51.68 59.21 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.237 178.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.008 0.432 . . . . 0.0 110.741 -178.411 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 86.2 mt . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' A' ' 4' ' ' ARG . 19.1 ttt-85 -74.14 101.76 4.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.596 ' HA ' HG22 ' A' ' 40' ' ' VAL . 50.3 m95 -82.18 124.4 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.483 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.0 p -69.71 160.14 32.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.928 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -60.91 -36.37 79.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.473 0.654 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.51 -39.95 77.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.839 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.45 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -61.85 -46.92 87.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.799 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 63.7 mttm -55.01 -44.94 75.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.797 175.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.7 m -65.64 -42.05 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -63.12 -38.0 89.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.836 0.35 . . . . 0.0 110.577 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.647 HD12 HD12 ' A' ' 16' ' ' ILE . 53.7 tp -64.43 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.839 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 98.4 mttt -72.09 -13.66 61.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.086 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -83.11 -15.5 50.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.953 0.406 . . . . 0.0 110.514 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.647 HD12 HD12 ' A' ' 13' ' ' LEU . 67.4 mt -84.51 127.2 66.72 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.953 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.55 149.5 30.96 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.071 2.514 . . . . 0.0 112.698 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.05 -39.16 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.403 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.97 -27.95 63.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.474 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.23 9.14 13.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.326 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -59.12 -53.13 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -74.68 -29.45 61.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.09 -51.22 48.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.353 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.509 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.81 -41.06 99.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.489 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.5 tttm -54.11 -44.9 71.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.769 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.47 94.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.639 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 17.9 ttm180 -69.39 -38.86 78.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.28 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 24' ' ' ALA . 93.4 mt -59.01 -47.43 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.405 . . . . 0.0 110.897 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -71.18 -22.78 61.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.897 0.379 . . . . 0.0 110.781 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -50.06 37.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 172.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 75.3 mt -57.42 -39.83 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.013 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.523 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.1 -44.69 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -65.34 -36.22 83.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.979 0.419 . . . . 0.0 110.531 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.69 -35.61 81.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.98 -2.89 58.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.632 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 63.81 37.05 10.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.206 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -118.42 139.09 51.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.067 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 7.2 m-20 -92.25 -12.39 32.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.892 0.853 . . . . 0.0 109.108 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -111.09 109.48 28.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.247 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 5' ' ' TRP . 18.4 m -77.2 128.12 38.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.691 0.758 . . . . 0.0 110.037 -176.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.5 p -89.99 154.34 47.41 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.14 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.82 -23.67 68.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.565 2.176 . . . . 0.0 111.681 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.76 -49.5 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.029 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.08 -36.71 82.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.206 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.45 HG21 ' HB1' ' A' ' 9' ' ' ALA . 61.4 t -64.16 -46.32 93.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.79 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -69.31 -38.4 78.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.227 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -54.42 -47.64 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.046 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.82 -30.59 71.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -66.43 -31.51 72.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 50' ' ' LEU . 3.3 mm? -82.0 -25.35 34.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.438 178.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -56.24 -51.88 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.414 0.626 . . . . 0.0 109.563 171.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.823 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 79.1 mt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.503 0.192 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.446 ' HB3' HD13 ' A' ' 39' ' ' ILE . 38.2 ttt180 -85.19 122.25 29.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 0.0 110.398 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.581 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 63.6 m95 -96.46 127.34 42.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.635 -178.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.1 p -66.95 158.67 30.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 171.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p -56.91 -39.95 75.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.917 0.389 . . . . 0.0 110.956 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -67.13 -41.49 86.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.316 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.16 94.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.881 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 6' ' ' THR . 94.3 mttt -62.86 -42.19 99.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.416 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 m -64.46 -45.16 88.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.502 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -63.64 -35.23 79.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.37 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.51 HD12 HD12 ' A' ' 16' ' ' ILE . 36.9 tp -63.94 -32.91 74.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.195 0.522 . . . . 0.0 109.841 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -73.52 -9.2 58.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.293 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.52 -23.55 42.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.017 0.437 . . . . 0.0 109.9 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 HD12 ' A' ' 13' ' ' LEU . 28.0 mt -83.45 128.16 65.37 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.862 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.6 142.39 49.76 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.959 2.439 . . . . 0.0 111.975 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -57.31 -27.74 62.44 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.552 -174.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.27 -32.26 73.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.389 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.1 -5.72 10.94 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -174.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -64.12 -43.64 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -173.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 t -71.03 -37.17 72.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.353 0.597 . . . . 0.0 110.175 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -69.14 -39.63 78.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.356 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.541 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.47 -39.11 85.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.448 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 57.0 tttm -57.61 -43.82 84.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.769 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.36 84.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.982 0.42 . . . . 0.0 110.45 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.473 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 21.9 tpt180 -64.8 -44.65 89.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.379 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 24' ' ' ALA . 76.2 mt -59.76 -48.94 85.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -56.73 -39.58 74.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 21.9 tt0 -69.83 -39.89 76.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.399 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 89.6 mt -62.66 -38.62 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -65.95 -35.24 80.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -67.99 -29.18 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.527 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 81.5 mt-30 -76.08 -29.89 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.116 0.484 . . . . 0.0 110.151 176.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.01 -9.69 59.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.526 171.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 63.75 47.41 3.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.223 175.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -148.6 163.11 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.925 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 26.7 m-20 -100.81 -0.69 36.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.072 0.463 . . . . 0.0 110.32 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 4' ' ' ARG . 37.7 mm -100.32 123.38 53.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.726 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 5' ' ' TRP . 17.1 m -98.05 131.8 44.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.303 0.573 . . . . 0.0 110.074 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.447 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.7 p -95.63 162.1 25.45 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 176.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.7 Cg_endo -58.1 -24.33 65.67 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.319 2.012 . . . . 0.0 111.316 177.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.18 -56.31 23.77 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.451 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.95 -38.7 89.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.16 -47.94 91.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.547 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -71.92 -38.6 69.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.711 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 71.5 mm-40 -54.86 -43.49 73.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.656 0.265 . . . . 0.0 110.508 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -69.25 -32.03 70.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.702 178.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.506 ' HD3' HG12 ' A' ' 16' ' ' ILE . 24.6 ttp180 -68.05 -33.54 74.77 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 50' ' ' LEU . 2.7 mm? -74.82 -28.26 60.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.018 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 12.1 mm-40 -54.91 -51.85 64.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.671 0.748 . . . . 0.0 109.208 172.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 96.4 m-85 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.428 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.861 0.362 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -86.74 109.37 19.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.345 0.593 . . . . 0.0 110.433 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.608 ' HA ' HG22 ' A' ' 40' ' ' VAL . 45.3 m95 -92.42 127.71 38.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.878 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.5 p -72.9 153.48 40.99 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.3 m -59.36 -33.12 70.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.225 0.536 . . . . 0.0 110.135 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.36 -44.81 82.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.434 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -62.87 -45.38 92.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.938 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 64.0 mtpt -57.05 -40.14 76.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 m -67.34 -44.08 79.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.679 0.276 . . . . 0.0 110.538 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -57.72 -38.87 76.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.607 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.658 HD12 HD12 ' A' ' 16' ' ' ILE . 52.1 tp -64.76 -33.98 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.878 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 96.9 mttt -71.19 -17.1 62.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -82.68 -13.2 56.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.547 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.658 HD12 HD12 ' A' ' 13' ' ' LEU . 56.6 mt -84.57 133.13 44.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.261 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.35 139.1 22.77 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.393 2.729 . . . . 0.0 112.815 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -48.11 -40.04 22.28 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -72.75 -45.34 59.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -176.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.92 -11.35 57.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.346 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 21' ' ' ARG . 24.9 ttp180 -62.17 -37.0 83.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.674 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 t -71.52 -39.26 70.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.083 0.468 . . . . 0.0 110.104 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -70.15 -41.34 73.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.474 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.8 -48.57 78.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.56 177.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.7 tttm -51.84 -43.27 63.13 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.448 0.467 . . . . 0.0 110.71 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.99 78.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.978 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 60.1 ttt180 -72.69 -35.86 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.189 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 24' ' ' ALA . 90.5 mt -59.12 -50.75 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.913 0.387 . . . . 0.0 110.984 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.16 -26.3 63.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.048 0.451 . . . . 0.0 110.568 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -41.4 79.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.07 174.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 67.0 mt -60.56 -41.6 94.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.799 178.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.544 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -65.49 -35.27 80.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 33' ' ' ARG . 19.8 mtp180 -74.97 -26.16 59.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.205 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -69.43 -30.55 68.51 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 173.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.0 -11.31 53.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.295 173.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.59 45.0 3.71 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.45 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -132.52 159.69 38.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.686 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.21 -15.56 31.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.849 0.357 . . . . 0.0 111.354 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 58.5 mt -101.49 132.33 47.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.746 -173.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.608 HG22 ' HA ' ' A' ' 5' ' ' TRP . 13.8 m -101.43 130.35 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.407 0.622 . . . . 0.0 109.361 173.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.8 p -94.33 159.11 34.63 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.838 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.97 -23.64 52.89 Favored 'Trans proline' 0 CA--C 1.528 0.205 0 C-N-CA 122.409 2.073 . . . . 0.0 111.69 177.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.31 -55.59 32.83 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.928 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.6 -39.88 94.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.449 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.477 HG21 ' HB1' ' A' ' 9' ' ' ALA . 61.3 t -60.37 -48.4 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.038 0.447 . . . . 0.0 110.806 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -70.5 -40.99 73.23 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.039 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 60.9 tp60 -55.28 -47.84 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.419 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.29 80.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.636 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -66.35 -36.35 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.65 -41.34 68.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.163 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 79.9 mm-40 -52.6 -51.69 58.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 176.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 66.9 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.702 0.287 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -104.52 160.45 14.93 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.2 178.44 4.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.986 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -83.91 112.34 20.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.023 0.44 . . . . 0.0 110.388 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.578 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 48.5 m95 -92.13 124.18 36.02 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.551 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.2 p -70.92 157.42 38.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.91 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.1 m -57.06 -39.12 74.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.816 0.341 . . . . 0.0 110.772 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.19 -40.73 86.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.572 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.97 98.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.718 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 59.5 mtpt -54.47 -46.54 73.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.846 175.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.7 m -64.17 -41.5 97.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.917 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -62.81 -38.89 92.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.359 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.9 -34.78 78.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 110.342 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 59.5 mttm -68.51 -28.91 67.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.111 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -75.18 -13.02 60.42 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.967 0.413 . . . . 0.0 111.079 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.9 mt -83.91 138.92 40.03 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.847 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.43 136.18 68.6 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.778 2.318 . . . . 0.0 112.39 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.36 -35.66 70.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.11 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -61.54 -29.13 69.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.812 0.339 . . . . 0.0 111.496 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.68 13.84 14.3 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -71.54 -43.14 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.61 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -61.18 -43.26 99.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 21.8 tp60 -56.95 -50.5 72.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.641 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -65.01 -44.59 88.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.404 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.2 tttm -54.93 -43.63 73.54 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.806 0.336 . . . . 0.0 110.727 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.18 93.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.37 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 26.5 mmm180 -66.79 -49.19 66.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.882 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.524 HD13 HG22 ' A' ' 45' ' ' VAL . 76.6 mt -56.75 -50.26 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.604 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.06 -30.67 69.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -71.11 -35.47 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.071 0.463 . . . . 0.0 109.998 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 28' ' ' ILE . 61.6 mt -63.9 -38.45 91.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.048 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.534 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.9 -36.87 82.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.686 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -72.34 -26.14 61.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.006 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -67.88 -26.53 66.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.15 -4.51 27.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.105 176.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 56.54 41.96 27.9 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.983 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -110.6 145.17 38.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.469 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -89.31 -13.53 37.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.359 0.599 . . . . 0.0 109.757 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.1 mt -115.92 128.69 73.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.019 -175.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 32' ' ' ALA . 13.2 m -95.61 135.5 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.284 0.564 . . . . 0.0 110.343 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 69.7 p -97.13 161.81 24.93 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.798 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 20.4 Cg_endo -61.14 -18.56 58.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.392 2.062 . . . . 0.0 111.555 175.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -70.49 -39.21 74.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.29 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.02 -41.42 86.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.524 HG22 HD13 ' A' ' 28' ' ' ILE . 44.6 t -60.75 -43.0 94.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.35 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' OE2' ' HD3' ' A' ' 49' ' ' ARG . 7.1 tp10 -62.25 -44.18 97.14 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.925 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -52.5 -48.89 65.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.615 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.41 80.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.349 0.595 . . . . 0.0 110.817 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD3' ' OE2' ' A' ' 46' ' ' GLU . 30.5 ttt-85 -71.11 -36.45 72.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.533 0.683 . . . . 0.0 109.965 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -73.12 -42.73 62.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.708 -177.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.94 -38.84 89.96 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.571 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 27' ' ' ARG . 22.0 m-30 -68.17 -32.64 73.04 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.852 0.358 . . . . 0.0 110.52 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.22 -37.75 86.99 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.953 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 50' ' ' LEU . 96.6 mt-30 -73.48 -36.51 65.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -177.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -85.32 -4.58 59.21 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.808 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.04 105.84 7.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.149 0.499 . . . . 0.0 111.117 -178.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -110.9 33.18 4.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.825 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 82.9 t60 71.42 -71.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.415 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -81.95 86.3 6.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 122.008 0.909 . . . . 0.0 110.36 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -85.42 62.51 7.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.051 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -178.96 177.36 0.83 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.346 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.0 p80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.108 176.825 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 121.088 0.471 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -138.39 159.05 43.07 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 38' ' ' ASP . 69.9 mt -105.05 178.66 4.5 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.738 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -90.59 114.17 26.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.716 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.613 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -94.76 131.01 41.05 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.753 -176.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.51 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 53.9 p -78.56 162.85 26.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 p -57.87 -35.44 70.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.961 0.41 . . . . 0.0 111.16 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 1.6 mp0 -68.17 -47.16 68.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.876 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.255 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 6' ' ' THR . 54.6 mtpt -63.06 -38.48 91.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.422 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.2 m -70.99 -41.43 70.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.991 0.424 . . . . 0.0 110.604 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -57.8 -43.13 85.44 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.53 -40.68 97.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.101 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.82 -13.75 62.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.991 0.424 . . . . 0.0 111.091 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -88.49 -3.25 58.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.907 0.384 . . . . 0.0 110.535 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.567 HG12 ' HD3' ' A' ' 49' ' ' ARG . 40.9 mt -95.57 137.21 22.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.16 134.37 43.58 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.906 2.404 . . . . 0.0 112.285 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.12 -38.72 73.85 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.96 -173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -64.21 -15.73 60.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.322 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.35 -0.11 11.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -69.01 -40.84 78.43 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -63.23 -37.96 89.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.367 0.603 . . . . 0.0 110.115 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -74.12 -42.84 59.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.832 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.95 -43.57 82.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.613 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 66.1 tttm -56.2 -44.35 79.36 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.591 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.28 -44.3 83.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.473 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 22.7 ttm-85 -66.67 -46.54 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.212 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.7 mt -56.15 -49.14 77.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 111.178 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 3' ' ' LEU . 55.8 mt-10 -71.23 -26.02 62.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -70.98 -38.21 72.75 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.758 0.313 . . . . 0.0 110.411 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 70.4 mt -62.14 -42.58 99.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 110.318 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -67.56 -43.15 81.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.048 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ARG . 27.5 mmt180 -67.36 -19.69 65.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -68.22 -40.42 82.11 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.91 -9.97 59.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.291 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 63.16 35.1 13.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.971 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 4.6 pt20 -104.76 146.56 28.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.687 177.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' HA ' HD22 ' A' ' 3' ' ' LEU . 7.2 m-20 -91.74 -6.93 51.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.016 0.436 . . . . 0.0 110.503 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -118.3 129.93 73.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.035 -176.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 32' ' ' ALA . 23.1 m -96.65 135.11 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.048 0.452 . . . . 0.0 110.332 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.465 ' OG1' HD13 ' A' ' 44' ' ' LEU . 4.6 p -96.34 157.26 35.82 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.643 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.91 -31.4 81.43 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 123.096 2.53 . . . . 0.0 112.912 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -70.31 -30.68 67.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.827 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.465 HD13 ' OG1' ' A' ' 41' ' ' THR . 9.0 mp -68.85 -39.68 79.76 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 175.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.5 t -62.66 -43.61 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.879 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' CD ' HH21 ' A' ' 49' ' ' ARG . 10.5 tp10 -60.92 -47.61 85.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.236 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 1.2 mm-40 -57.14 -38.61 73.76 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.708 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.72 97.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.219 0.533 . . . . 0.0 110.379 176.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HD3' HG12 ' A' ' 16' ' ' ILE . 38.7 ttp180 -73.43 -26.18 60.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.175 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -65.78 -45.83 80.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.417 176.727 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 34.9 mm-40 -54.84 -55.27 32.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.354 177.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -65.79 -29.87 70.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.52 -5.39 77.94 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.718 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -109.94 -43.22 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.79 0.328 . . . . 0.0 110.693 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.05 -42.69 94.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.972 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -79.05 -72.62 0.38 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.917 0.389 . . . . 0.0 109.986 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -140.27 112.85 7.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.249 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -46.83 129.26 11.53 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.835 0.71 . . . . 0.0 110.49 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -53.88 107.71 0.29 Allowed 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 123.557 0.536 . . . . 0.0 110.701 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -113.2 79.96 1.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.847 0.832 . . . . 0.0 110.815 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -100.3 127.22 46.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.633 177.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.6 m80 . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.119 177.126 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.785 0.326 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -148.85 147.86 29.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD11 ' HG3' ' A' ' 33' ' ' ARG . 48.6 mt -100.12 175.37 5.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.837 0.351 . . . . 0.0 110.338 176.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.21 113.0 21.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.322 0.582 . . . . 0.0 110.51 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.68 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 43.6 m95 -94.05 123.84 37.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.977 -178.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.0 p -69.13 159.29 33.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.104 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -35.99 71.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.137 0.494 . . . . 0.0 111.058 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -71.26 -42.63 68.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.13 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.49 89.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.327 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 58.8 mtpt -59.66 -38.67 82.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.0 m -65.3 -42.93 92.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -66.01 -33.47 75.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.723 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 16' ' ' ILE . 34.8 tp -64.09 -34.58 78.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.259 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 96.5 mttt -66.95 -21.12 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.102 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -77.86 -11.98 59.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.081 0.467 . . . . 0.0 110.456 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.523 HD12 HD12 ' A' ' 13' ' ' LEU . 27.7 mt -89.9 133.34 34.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.213 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.26 137.03 14.48 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.145 2.564 . . . . 0.0 112.331 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -51.84 -47.99 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -70.5 -28.5 65.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 111.84 -174.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.08 -7.16 33.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.885 0.374 . . . . 0.0 110.97 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 38.3 ttm180 -65.18 -42.15 93.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.284 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.6 t -64.93 -36.38 84.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.268 0.556 . . . . 0.0 110.021 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.4 -44.05 63.05 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.436 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -63.82 -42.12 97.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.291 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 60.7 tttm -52.99 -44.17 67.01 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 123.318 0.386 . . . . 0.0 110.841 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 30' ' ' GLN . . . -56.7 -46.94 80.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.448 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.561 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 45.7 mtp85 -67.72 -42.86 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.918 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.597 HD13 HG13 ' A' ' 45' ' ' VAL . 74.8 mt -56.64 -47.21 82.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.063 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 87.4 mt-10 -66.03 -37.61 86.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.715 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 79.7 mt-30 -62.17 -35.37 78.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.463 176.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 95.3 mt -64.52 -38.76 92.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.585 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.18 68.26 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.027 0.442 . . . . 0.0 110.602 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 83.0 mtt180 -63.5 -32.34 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.707 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -65.52 -36.66 84.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.19 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.11 -5.41 58.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.04 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 70.45 43.44 0.8 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.526 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -137.91 155.37 49.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.005 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.4 -2.08 55.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.064 0.459 . . . . 0.0 110.623 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -110.76 132.0 60.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.412 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 5' ' ' TRP . 21.3 m -97.45 138.15 23.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.319 0.581 . . . . 0.0 110.045 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 p -103.3 156.49 35.35 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.457 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.42 -37.29 97.41 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.268 2.645 . . . . 0.0 114.295 -172.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -77.07 -24.87 51.86 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.663 -175.489 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.99 -36.99 78.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.22 0.534 . . . . 0.0 109.715 172.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.597 HG13 HD13 ' A' ' 28' ' ' ILE . 91.1 t -61.18 -51.04 77.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.942 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.57 -22.79 58.81 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.533 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -63.03 -41.64 99.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.93 73.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.027 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.4 ttt-85 -71.48 -28.74 64.14 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -42.31 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.417 177.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.605 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 37.7 mt-10 -58.18 -50.87 72.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.886 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -71.94 -24.4 61.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.675 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.46 -29.37 75.06 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.682 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -89.25 -30.09 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.729 0.299 . . . . 0.0 110.52 177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 79.4 mt -74.35 -23.74 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.345 178.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 57' ' ' HIS . 10.1 mm-40 65.57 62.29 0.66 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.99 173.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 14.8 m170 71.52 -56.2 0.64 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.37 0.668 . . . . 0.0 111.393 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -145.51 138.06 25.86 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -43.65 103.04 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.101 0.875 . . . . 0.0 111.449 -177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -78.74 -75.4 0.23 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.147 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -113.54 -7.99 13.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.174 0.511 . . . . 0.0 109.671 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.174 177.375 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptp . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.595 0.236 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -102.21 134.6 45.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.4 mt -109.42 -179.83 3.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.818 0.342 . . . . 0.0 111.373 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.507 ' HD3' HG12 ' A' ' 39' ' ' ILE . 38.3 ttt85 -77.62 116.23 18.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.964 0.411 . . . . 0.0 110.539 178.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.691 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.7 m95 -96.41 129.7 43.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.664 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 40.1 p -73.88 156.7 37.42 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.503 175.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -60.5 -31.96 70.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.119 0.485 . . . . 0.0 110.711 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -68.14 -44.23 76.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.968 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.97 99.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.913 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 6' ' ' THR . 97.0 mttt -55.02 -47.19 75.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 110.602 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -63.0 -38.7 92.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.875 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.31 -38.52 87.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.932 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.87 -37.43 86.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.252 0.549 . . . . 0.0 110.07 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -70.27 -20.11 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.33 175.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -77.74 -17.97 57.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.824 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.594 HG12 ' HG3' ' A' ' 49' ' ' ARG . 47.3 mt -86.97 136.51 34.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.662 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.91 136.06 65.17 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.533 2.155 . . . . 0.0 111.546 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 63.3 t80 -51.04 -35.02 32.15 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.781 0.432 . . . . 0.0 111.674 -178.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -57.43 -31.1 65.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.629 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.13 5.87 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.537 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 6.0 mtm180 -64.24 -49.14 73.08 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.251 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 m -61.96 -43.84 98.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.42 . . . . 0.0 110.665 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 6.1 tp-100 -61.48 -49.4 76.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.431 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -61.77 -47.71 83.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.737 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.691 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 66.0 tttm -51.97 -44.85 64.19 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.474 0.484 . . . . 0.0 110.964 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.77 91.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.995 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.568 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 43.0 ttt180 -75.86 -35.9 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.003 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 24' ' ' ALA . 94.0 mt -59.21 -53.17 51.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.12 0.486 . . . . 0.0 110.779 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 49.3 mt-10 -69.79 -24.11 63.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.298 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -69.66 -40.83 76.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.954 0.407 . . . . 0.0 110.029 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 81.3 mt -64.85 -33.11 75.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.486 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.484 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.72 -36.8 83.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.16 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 36.7 mmt180 -66.02 -36.63 83.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.245 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -61.3 -40.76 95.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.516 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.25 -12.0 59.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.448 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 67.48 37.2 3.51 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.247 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -126.08 146.69 49.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.665 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.9 15.62 16.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.217 0.532 . . . . 0.0 110.64 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.507 HG12 ' HD3' ' A' ' 4' ' ' ARG . 66.5 mt -126.94 135.5 63.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.536 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 5' ' ' TRP . 20.2 m -103.25 138.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.239 0.542 . . . . 0.0 110.679 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 34.8 p -97.07 159.25 31.82 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.229 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.4 Cg_endo -60.41 -32.06 93.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.407 2.072 . . . . 0.0 112.007 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.09 -25.77 58.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.89 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.44 -41.66 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.117 0.484 . . . . 0.0 109.827 172.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG22 HD13 ' A' ' 28' ' ' ILE . 40.1 t -63.77 -42.6 96.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.648 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.522 ' CD ' HH12 ' A' ' 49' ' ' ARG . 51.8 tp10 -55.07 -57.28 12.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.966 174.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 58.4 tp60 -55.03 -47.17 75.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.347 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.3 82.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.673 0.273 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.594 ' HG3' HG12 ' A' ' 16' ' ' ILE . 1.1 tmm_? -76.57 -23.85 53.54 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -41.01 62.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.472 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 78.2 mm-40 -53.07 -54.42 35.81 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.776 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 23' ' ' GLN . 70.0 m-85 -71.43 -24.98 62.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.739 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.53 97.46 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 175.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -74.24 -34.38 63.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.394 . . . . 0.0 111.021 176.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 95.1 mt -68.13 -35.27 77.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -93.01 8.45 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.546 0.689 . . . . 0.0 110.087 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -84.96 114.56 22.24 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -92.75 122.69 35.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.861 -175.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -140.87 -78.16 0.29 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.09 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 16.1 p80 -142.25 24.82 1.93 Allowed 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 60' ' ' HIS . 52.1 m-70 64.02 -159.82 0.3 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.808 174.227 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.959 0.409 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -134.42 129.36 35.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.421 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.5 mt -85.47 -179.2 6.88 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' HD2' HG12 ' A' ' 39' ' ' ILE . 71.9 mtt180 -84.37 117.25 23.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.031 0.443 . . . . 0.0 109.842 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.564 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 47.7 m95 -99.6 125.26 45.38 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.888 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.8 p -71.85 157.96 36.93 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -57.95 -41.5 82.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.452 0.644 . . . . 0.0 109.956 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -60.93 -44.06 97.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.62 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.42 90.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.274 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 55.8 mtpt -57.65 -43.16 84.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.057 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.8 m -67.37 -39.37 85.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -63.65 -39.5 94.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.028 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.602 HD12 HD12 ' A' ' 16' ' ' ILE . 46.1 tp -60.52 -36.22 77.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.117 0.484 . . . . 0.0 110.495 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 97.5 mttt -69.22 -15.01 63.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.468 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -92.87 3.17 56.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.021 0.439 . . . . 0.0 110.83 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.602 HD12 HD12 ' A' ' 13' ' ' LEU . 56.8 mt -95.95 133.27 25.56 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.776 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -52.69 134.96 55.52 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.818 2.345 . . . . 0.0 111.676 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -53.18 -44.99 68.32 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -171.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -58.05 -27.62 63.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.51 9.22 13.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.975 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -72.72 -50.38 25.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.864 0.364 . . . . 0.0 110.698 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 m -66.55 -27.73 67.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.103 0.478 . . . . 0.0 110.157 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.96 -46.5 52.04 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.763 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.584 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -60.18 -43.16 96.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.224 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 63.7 tttm -51.3 -48.17 62.38 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.444 0.465 . . . . 0.0 110.985 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.8 -36.9 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.612 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 15.8 ttm180 -76.9 -38.03 54.32 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.869 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 24' ' ' ALA . 86.6 mt -58.34 -52.87 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.051 0.453 . . . . 0.0 110.699 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.02 -28.64 67.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.403 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -65.11 -44.16 89.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.229 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 83.8 mt -65.26 -31.91 73.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.779 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.517 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.41 -36.26 82.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.745 176.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -62.75 -37.48 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.308 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -71.49 -32.34 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.366 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.5 -4.61 54.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.98 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 64.78 35.29 8.79 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.908 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -133.92 143.52 48.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -86.5 -9.2 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.494 0.664 . . . . 0.0 109.971 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.5 HG12 ' HD2' ' A' ' 4' ' ' ARG . 45.6 mt -110.03 132.94 56.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.682 -177.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 32' ' ' ALA . 14.3 m -98.61 135.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.363 0.601 . . . . 0.0 110.457 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.508 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 24.9 p -99.27 161.24 25.32 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.018 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 17.9 Cg_endo -59.08 -23.18 67.7 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.555 2.17 . . . . 0.0 111.961 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.09 -42.4 80.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.273 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.427 HD13 ' OG1' ' A' ' 41' ' ' THR . 10.8 mp -66.58 -39.38 88.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.144 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.488 HG22 HD13 ' A' ' 28' ' ' ILE . 47.0 t -61.99 -45.1 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.199 0.523 . . . . 0.0 110.165 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.73 -53.64 56.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.084 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -52.91 -47.56 67.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.567 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -63.71 -34.54 78.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.625 0.25 . . . . 0.0 111.203 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.574 ' HD3' HG12 ' A' ' 16' ' ' ILE . 40.2 ttp180 -69.33 -39.71 78.02 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.888 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' HA ' HD13 ' A' ' 50' ' ' LEU . 3.1 mm? -73.27 -27.1 61.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.09 178.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 64.3 mm-40 -54.32 -53.21 56.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -78.96 -23.99 44.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.725 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.18 -38.17 93.63 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.987 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -90.31 -29.49 18.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.563 0.22 . . . . 0.0 111.323 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -76.27 -72.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.49 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.593 ' CD ' ' H ' ' A' ' 57' ' ' HIS . 2.2 tm-20 53.55 -145.56 0.59 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -178.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.593 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 33.7 t-80 53.51 58.55 5.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 111.174 176.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -62.35 109.26 1.29 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -105.92 113.34 26.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 57.01 33.37 23.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.579 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -77.48 -29.71 52.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 t60 . . . . . 0 C--O 1.245 0.823 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.057 173.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.659 0.266 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -152.32 172.59 16.23 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.2 mt -116.15 -179.47 3.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.128 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -88.15 131.4 34.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.917 0.389 . . . . 0.0 110.333 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.643 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -109.18 131.1 55.39 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -175.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 p -71.58 159.34 34.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.953 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.3 m -56.14 -41.06 74.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.28 0.562 . . . . 0.0 110.32 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 3.2 mp0 -65.38 -45.44 84.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.65 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.0 90.95 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 64.9 mttm -55.71 -48.39 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m -60.7 -44.51 96.47 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HG3' ' CB ' ' A' ' 42' ' ' PRO . 1.5 mmmm -66.56 -32.96 74.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.421 -178.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 16' ' ' ILE . 59.3 tp -64.65 -35.42 80.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.998 0.427 . . . . 0.0 110.249 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 94.7 mttt -70.18 -16.38 63.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.48 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -82.25 -15.59 52.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.198 0.523 . . . . 0.0 110.25 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.577 HG12 ' HG3' ' A' ' 49' ' ' ARG . 59.2 mt -81.53 134.4 51.22 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.69 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.34 130.1 36.82 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.486 2.124 . . . . 0.0 111.523 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 92.1 t80 -52.23 -38.24 57.5 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.326 0.391 . . . . 0.0 111.996 -175.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -57.65 -27.73 63.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 111.24 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.57 8.19 11.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.382 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 8.7 mtm180 -66.06 -46.33 78.17 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.433 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -61.75 -41.02 97.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.204 0.526 . . . . 0.0 110.36 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -66.65 -48.29 69.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.703 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.6 -48.02 81.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.643 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 52.6 tttm -55.58 -39.64 70.96 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.468 0.48 . . . . 0.0 110.896 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.13 80.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.474 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 15.3 ttm180 -73.29 -39.75 65.09 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.133 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 24' ' ' ALA . 85.3 mt -54.3 -48.51 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.997 0.427 . . . . 0.0 111.091 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 60.3 mt-10 -71.8 -29.73 64.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.863 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -68.88 -37.66 79.17 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.828 0.347 . . . . 0.0 110.856 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 84.1 mt -62.29 -37.96 87.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 110.1 177.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -67.22 -32.83 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.725 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 5.2 mmp_? -66.6 -33.71 76.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.069 0.462 . . . . 0.0 109.881 174.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -65.8 -35.1 79.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.682 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.77 -8.14 56.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.958 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 65.11 29.17 12.11 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.156 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -110.38 143.36 40.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -88.32 -9.69 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.232 0.539 . . . . 0.0 110.067 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.8 mt -112.35 126.6 69.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.098 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 5' ' ' TRP . 19.6 m -93.47 142.79 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.163 0.506 . . . . 0.0 110.759 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.465 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 29.1 p -104.51 159.81 28.1 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.977 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.546 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 21.4 Cg_endo -59.14 -22.98 67.04 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.835 2.356 . . . . 0.0 112.196 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -64.04 -51.8 62.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.173 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.41 -35.07 79.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.665 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.32 -52.24 63.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.108 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.57 -33.29 62.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.461 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 25.4 tp60 -53.69 -50.59 65.53 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.609 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.06 -31.53 72.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.048 0.451 . . . . 0.0 110.626 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.577 ' HG3' HG12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.07 -38.31 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.682 -178.106 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -40.25 78.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.945 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 47' ' ' GLN . 50.0 mt-10 -56.82 -48.65 77.53 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.435 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 45.1 m-85 -72.95 -18.6 61.37 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.149 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.8 -29.81 75.87 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 172.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -93.86 -43.37 8.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.784 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 74.7 mt -78.16 5.92 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.365 -174.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -69.15 86.23 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.333 0.587 . . . . 0.0 109.523 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -72.0 114.28 9.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.533 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 61.33 -100.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.531 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.9 m170 65.2 -66.91 0.13 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.768 0.427 . . . . 0.0 111.271 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -78.88 126.97 31.41 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.244 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -87.53 107.27 18.5 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--O 1.246 0.895 0 O-C-N 123.853 0.72 . . . . 0.0 109.811 -176.9 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mmt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -95.13 145.57 24.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.815 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.7 mt -89.69 178.28 6.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.834 0.35 . . . . 0.0 110.428 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.416 ' HD3' HG12 ' A' ' 39' ' ' ILE . 37.5 ttt180 -81.82 107.74 14.79 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 48.1 m95 -90.09 124.03 34.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p -70.24 161.29 30.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.766 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.5 t -61.14 -36.99 81.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.066 0.46 . . . . 0.0 109.931 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -65.62 -44.32 86.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.27 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.27 -45.63 93.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.834 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -58.03 -41.08 82.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.618 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -63.88 -48.5 76.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.683 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -64.29 -35.7 81.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.662 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.53 -32.23 73.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 110.154 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -76.34 -4.39 41.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.238 177.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -90.53 -8.38 50.47 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.299 0.571 . . . . 0.0 109.603 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.6 mt -97.25 124.89 47.62 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.156 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -52.12 133.56 47.3 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.847 2.365 . . . . 0.0 111.82 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.463 ' HA ' ' HB3' ' A' ' 21' ' ' ARG . 53.1 p90 -57.43 -27.0 62.02 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.88 -35.25 76.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.959 0.409 . . . . 0.0 110.991 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.18 -5.94 13.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.019 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' HB3' ' HA ' ' A' ' 18' ' ' PHE . 59.4 ttt180 -64.12 -37.07 86.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.41 -176.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.8 p -63.97 -44.55 92.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.198 0.523 . . . . 0.0 110.252 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -66.15 -43.69 86.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.274 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.525 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -64.28 -43.05 96.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.282 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 63.5 tttm -56.13 -43.99 78.75 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.175 0.297 . . . . 0.0 110.672 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.94 86.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.599 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.57 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 19.4 tpt180 -70.08 -45.5 66.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.854 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.0 mt -56.17 -51.56 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 111.035 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.678 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 56.6 mt-10 -67.77 -32.35 72.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.497 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -65.18 -42.09 94.0 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.984 0.421 . . . . 0.0 110.029 175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 80.6 mt -60.62 -38.67 85.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.28 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -65.75 -40.57 92.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.607 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.678 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 87.4 mtt-85 -60.5 -40.69 92.29 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -65.38 -39.56 92.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.172 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.24 -6.73 54.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.049 0.452 . . . . 0.0 110.729 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.27 24.87 10.6 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.768 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -110.22 140.06 44.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.611 175.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.64 0.01 57.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.244 0.545 . . . . 0.0 110.215 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.416 HG12 ' HD3' ' A' ' 4' ' ' ARG . 41.8 mt -113.04 133.35 59.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.211 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 5' ' ' TRP . 20.1 m -98.29 134.64 36.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.359 0.6 . . . . 0.0 110.339 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -100.87 155.36 36.41 Favored Pre-proline 0 C--N 1.313 -0.979 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.213 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.12 -30.98 94.61 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.928 2.418 . . . . 0.0 113.65 -173.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -24.09 51.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.603 0.239 . . . . 0.0 111.358 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.29 -37.86 68.9 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.076 0.465 . . . . 0.0 109.751 171.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.483 HG22 HG21 ' A' ' 28' ' ' ILE . 80.8 t -61.29 -45.4 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.09 175.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -71.2 -35.9 71.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.396 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.5 OUTLIER -54.62 -51.35 65.65 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.661 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.28 70.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.05 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -66.6 -40.99 89.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.571 0.7 . . . . 0.0 109.375 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -29.53 62.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.725 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 44.0 mm-40 -54.99 -51.89 64.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.137 174.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 85.9 m-85 -73.24 -22.63 60.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.182 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.69 -31.83 81.42 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.603 171.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -88.91 -30.56 18.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.958 0.409 . . . . 0.0 110.653 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 52' ' ' PHE . 96.1 mt -83.15 -2.81 56.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.947 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 102.01 0.93 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.107 0.479 . . . . 0.0 109.861 177.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -104.8 -0.6 27.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.687 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -85.82 -31.36 22.35 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 175.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -102.46 90.07 3.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.812 -1.086 . . . . 0.0 109.199 168.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -145.6 98.86 3.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.828 0.347 . . . . 0.0 111.679 -177.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -160.07 137.15 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 169.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.775 -179.365 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtm . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.913 0.387 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -93.21 155.03 17.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.537 HD11 ' HG3' ' A' ' 33' ' ' ARG . 33.6 mt -96.48 -179.47 4.63 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.029 0.442 . . . . 0.0 111.076 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 39' ' ' ILE . 53.0 mtt180 -92.47 120.16 32.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.838 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.55 ' HA ' HG22 ' A' ' 40' ' ' VAL . 32.7 m95 -103.1 135.31 45.0 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.847 -173.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.1 p -73.74 155.89 38.43 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -57.85 -38.07 75.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.102 0.477 . . . . 0.0 110.849 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 42' ' ' PRO . 44.4 mt-10 -72.29 -33.68 67.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.894 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -39.28 83.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 110.446 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 6' ' ' THR . 65.0 mttm -59.92 -44.79 94.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.791 175.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.0 m -61.34 -45.69 93.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.729 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -64.33 -38.51 91.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.399 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.74 -44.73 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.994 0.426 . . . . 0.0 110.256 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -69.46 -12.46 61.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.193 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -79.64 -20.49 46.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.386 0.613 . . . . 0.0 109.552 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.552 HG12 ' HD3' ' A' ' 49' ' ' ARG . 55.3 mt -86.0 133.76 40.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.062 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.6 134.47 53.2 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.057 2.505 . . . . 0.0 112.14 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -47.65 -42.43 24.47 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.594 0.559 . . . . 0.0 112.29 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.28 -33.39 67.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.567 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.12 -0.41 15.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.732 0.301 . . . . 0.0 111.152 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -69.72 -46.18 66.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.989 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -63.81 -37.47 87.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.16 0.505 . . . . 0.0 110.269 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -67.9 -46.71 70.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.616 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.564 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -63.76 -42.59 97.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.349 176.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 47.6 tttm -55.76 -42.39 75.4 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.258 0.349 . . . . 0.0 110.823 177.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.89 79.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.546 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 16.3 mtp180 -75.65 -34.28 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.606 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.4 mt -62.78 -52.03 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.972 0.415 . . . . 0.0 110.634 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.44 -25.87 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.622 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.469 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 34.6 tt0 -64.58 -48.2 75.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.221 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 75.6 mt -60.51 -38.73 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.273 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -75.34 -38.26 60.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.467 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HG3' HD11 ' A' ' 3' ' ' LEU . 58.5 mtm180 -71.9 -19.69 61.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.038 0.447 . . . . 0.0 110.145 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -74.5 -32.53 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.459 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.52 -6.73 58.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.267 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 63.55 52.6 2.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.184 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.55 170.28 16.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.117 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 8.6 m-20 -96.55 -28.59 14.31 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 -176.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 51.1 mt -102.01 138.99 24.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.267 -171.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 5' ' ' TRP . 12.0 m -106.66 141.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.23 0.538 . . . . 0.0 110.079 176.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.3 p -104.24 155.95 36.48 Favored Pre-proline 0 C--N 1.317 -0.809 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.374 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HG3' ' HB2' ' A' ' 8' ' ' GLU . 53.4 Cg_exo -51.19 -30.96 34.49 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.844 2.363 . . . . 0.0 112.93 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -61.5 -43.02 99.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.06 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.67 -35.04 78.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.74 0.305 . . . . 0.0 110.785 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.456 HG22 HD13 ' A' ' 28' ' ' ILE . 57.4 t -64.47 -45.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.211 0.529 . . . . 0.0 109.734 175.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.437 ' CD ' HH21 ' A' ' 49' ' ' ARG . 8.4 tp10 -59.91 -45.16 93.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.999 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -55.05 -41.07 70.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.774 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.25 90.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.552 ' HD3' HG12 ' A' ' 16' ' ' ILE . 50.6 ttp180 -74.5 -33.32 62.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -45.45 94.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.79 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.67 -46.46 84.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.115 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -80.4 -10.02 59.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 111.198 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.47 -29.38 63.98 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 168.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -90.79 -13.19 34.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.929 174.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 3.5 mm? 63.97 50.05 2.63 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.164 -175.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 16.0 mm-40 68.59 117.82 0.03 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.203 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -80.06 -1.18 38.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.732 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 75.33 -46.42 0.58 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.086 176.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -121.32 133.17 55.11 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -149.14 53.84 0.97 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.671 0.748 . . . . 0.0 109.668 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -165.46 -51.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.964 -1.017 . . . . 0.0 108.719 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.6 m80 . . . . . 0 C--O 1.244 0.807 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.654 173.566 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.587 0.232 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -132.0 95.88 3.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 171.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' O ' ' HD1' ' A' ' 5' ' ' TRP . 52.3 mt -79.39 -178.45 6.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.939 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -81.26 108.35 14.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.407 0.623 . . . . 0.0 109.942 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.524 ' HA ' HG22 ' A' ' 40' ' ' VAL . 37.1 m95 -99.64 129.71 45.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.087 -178.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 p -78.29 158.84 28.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 t -60.12 -35.92 76.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.949 0.404 . . . . 0.0 110.021 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.541 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 2.2 mp0 -61.97 -46.33 89.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.708 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -63.69 -47.07 82.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.128 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 60.6 mtpt -57.78 -39.01 76.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.071 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.3 m -66.87 -40.54 87.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.402 . . . . 0.0 110.636 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -62.8 -39.42 94.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.682 177.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD12 HD12 ' A' ' 16' ' ' ILE . 47.1 tp -63.01 -36.9 85.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.761 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 63.2 mttm -65.66 -26.96 68.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.961 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -82.29 -7.4 59.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.065 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.56 HD12 HD12 ' A' ' 13' ' ' LEU . 58.6 mt -84.14 132.28 48.41 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.755 174.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.24 148.23 71.63 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.876 2.384 . . . . 0.0 112.458 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -55.5 -34.36 64.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.593 -177.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -63.79 -19.53 65.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.69 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.35 8.68 8.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.659 0.266 . . . . 0.0 111.116 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -59.63 -46.93 87.52 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.5 t -77.51 -41.04 40.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.852 0.358 . . . . 0.0 110.079 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -59.76 -45.06 93.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.75 -45.81 73.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.3 tttm -55.97 -46.68 78.57 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.744 0.307 . . . . 0.0 110.541 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.5 88.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.718 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.596 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 20.0 tpt180 -64.7 -51.6 61.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.711 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.502 HG21 HG22 ' A' ' 45' ' ' VAL . 62.6 mt -56.24 -51.75 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.611 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 49.9 mt-10 -65.19 -32.28 73.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.876 -176.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 48.2 mt-30 -72.49 -35.47 68.18 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.667 174.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 96.3 mt -61.74 -31.77 71.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 110.343 175.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -68.62 -40.38 80.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.501 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 21.4 mtp-105 -64.4 -36.6 84.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.124 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 85.3 mt-30 -67.15 -26.51 66.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.105 0.479 . . . . 0.0 110.154 174.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.55 -1.35 57.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.131 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 71.2 23.73 4.01 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.617 0.573 . . . . 0.0 111.693 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -127.11 152.09 47.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.566 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -99.6 1.39 43.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.179 0.514 . . . . 0.0 110.021 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -108.57 131.61 58.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.496 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 5' ' ' TRP . 17.0 m -98.03 132.45 42.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.266 0.555 . . . . 0.0 109.713 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.4 p -94.18 159.63 33.76 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.694 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.86 -25.55 69.9 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.094 1.862 . . . . 0.0 110.911 175.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.75 -54.65 44.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.287 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.4 -42.72 99.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.258 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.502 HG22 HG21 ' A' ' 28' ' ' ILE . 56.7 t -60.8 -47.68 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.84 -33.87 66.44 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.177 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -58.34 -48.09 81.67 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.11 72.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.449 0.642 . . . . 0.0 110.321 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -75.06 -25.57 58.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.285 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 -48.67 12.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.518 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.5 pt-20 -64.85 -35.45 81.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.676 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 22.0 m-30 -69.68 -33.46 72.59 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.989 0.424 . . . . 0.0 109.927 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.41 -40.72 98.01 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.709 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.18 -31.67 71.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.566 0.222 . . . . 0.0 111.017 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 85.2 mt -68.89 -36.12 77.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.533 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 62.5 81.2 0.21 Allowed 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.94 0.775 . . . . 0.0 110.361 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.2 m80 66.77 177.96 0.23 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.546 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -158.38 84.12 0.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 111.524 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -166.1 -30.92 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.45 174.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -70.31 -10.25 58.45 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 70.11 154.67 0.13 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.494 0.664 . . . . 0.0 112.389 172.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.3 p80 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.354 170.555 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.43 0.157 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.38 115.02 20.53 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.574 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 90.1 mt -88.81 179.22 6.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.144 -175.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.813 HH21 ' HB3' ' A' ' 38' ' ' ASP . 85.0 mtm180 -81.94 116.6 21.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.502 0.668 . . . . 0.0 111.134 178.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.576 ' HA ' HG22 ' A' ' 40' ' ' VAL . 41.6 m95 -98.48 127.59 44.47 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.524 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.0 p -68.03 157.69 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.979 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -57.14 -37.6 72.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.904 0.383 . . . . 0.0 110.99 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.45 -41.33 76.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.703 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.48 96.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.782 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HE2' ' O ' ' A' ' 5' ' ' TRP . 68.8 mttm -59.25 -45.9 89.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.806 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 m -64.75 -44.92 88.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -63.04 -35.56 80.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.591 HD12 HD12 ' A' ' 16' ' ' ILE . 53.4 tp -63.95 -38.27 90.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.721 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -64.93 -23.83 67.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -71.28 -24.23 62.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.16 0.505 . . . . 0.0 110.812 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.591 HD12 HD12 ' A' ' 13' ' ' LEU . 59.3 mt -75.89 130.42 78.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.084 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.11 133.84 42.09 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.878 2.385 . . . . 0.0 112.236 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -50.5 -38.34 43.66 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.457 0.473 . . . . 0.0 111.817 -176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -57.46 -27.78 62.78 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.493 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.82 -15.65 10.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -58.24 -46.64 85.58 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -174.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 m -60.31 -44.63 95.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.3 0.571 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -69.35 -36.95 77.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.809 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.57 -38.59 84.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.53 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.8 tttm -56.56 -49.14 75.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 0.0 110.275 177.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.7 69.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.931 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -73.11 -47.92 40.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.441 177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.544 ' HA ' HD12 ' A' ' 31' ' ' LEU . 83.4 mt -59.93 -47.35 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.6 -28.37 65.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.769 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -70.98 -35.17 72.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.011 0.434 . . . . 0.0 109.882 173.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 28' ' ' ILE . 69.0 mt -63.46 -39.64 95.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.101 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.33 -40.23 89.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.508 175.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -57.2 -42.59 81.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.922 0.391 . . . . 0.0 110.789 174.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -67.77 -38.58 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.556 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.47 -11.63 60.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.601 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 69.17 31.42 4.01 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.456 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -126.37 162.12 26.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.668 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.813 ' HB3' HH21 ' A' ' 4' ' ' ARG . 9.9 t70 -101.78 -26.73 13.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.424 0.63 . . . . 0.0 110.161 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.41 120.73 39.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.477 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 5' ' ' TRP . 16.6 m -93.94 136.52 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.434 0.635 . . . . 0.0 110.767 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.7 p -98.71 159.7 29.74 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.596 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.57 -21.46 62.35 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.283 1.988 . . . . 0.0 111.49 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.56 -50.65 73.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.509 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.91 -35.32 79.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.625 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.452 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 97.0 t -58.77 -54.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.919 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.38 -38.74 92.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.085 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -52.52 62.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.598 -178.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.05 73.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.027 0.441 . . . . 0.0 110.648 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -67.29 -34.86 78.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -65.06 -45.38 85.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.053 178.163 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 47.6 mt-10 -58.98 -48.58 81.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.042 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 63.0 m-85 -69.57 -17.26 63.54 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.026 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.69 -22.66 57.75 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.376 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 13.1 mm100 -91.76 -33.92 14.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.569 0.223 . . . . 0.0 110.864 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 97.7 mt -59.89 -68.61 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.624 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -134.52 -161.71 1.18 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 58' ' ' HIS . 13.6 m80 68.55 98.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.634 0.584 . . . . 0.0 111.703 172.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 57' ' ' HIS . 19.7 m-70 73.8 -72.94 0.1 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.17 174.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.8 p80 40.44 48.33 2.42 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 122.233 1.015 . . . . 0.0 110.361 -169.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -144.17 130.24 19.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.215 -174.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -84.22 -179.23 7.16 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.448 -0.787 . . . . 0.0 108.893 175.148 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 2' ' ' ASN . 70.1 mtm . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 1' ' ' MET . 49.5 m-80 70.2 138.59 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.937 0.773 . . . . 0.0 110.081 -170.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.2 mt -96.71 177.89 5.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.358 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.463 ' HB2' HG12 ' A' ' 39' ' ' ILE . 47.4 mtt180 -82.85 115.96 21.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.234 0.54 . . . . 0.0 110.482 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.493 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 43.3 m95 -98.19 129.39 44.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.967 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 54.5 p -75.98 165.24 25.25 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.2 m -58.26 -41.09 83.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.54 -37.61 74.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.813 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.37 98.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.713 0.292 . . . . 0.0 110.877 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HE2' ' O ' ' A' ' 5' ' ' TRP . 64.0 mttm -57.17 -45.25 83.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.353 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -64.76 -43.03 94.62 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.16 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -61.05 -41.87 97.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.279 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD12 HD12 ' A' ' 16' ' ' ILE . 49.3 tp -61.49 -38.27 86.7 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.89 0.376 . . . . 0.0 110.407 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -73.74 -8.3 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.743 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -90.33 -10.96 42.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.143 0.496 . . . . 0.0 110.523 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.47 HD12 HD12 ' A' ' 13' ' ' LEU . 63.4 mt -83.77 132.53 48.59 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.805 177.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.32 135.67 54.11 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.739 2.293 . . . . 0.0 112.069 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -50.24 -39.47 44.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.971 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -61.45 -24.41 66.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.74 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.17 2.11 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -68.54 -45.41 72.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.593 0.235 . . . . 0.0 111.21 -174.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -62.11 -39.52 92.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.296 0.569 . . . . 0.0 110.145 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -67.35 -46.7 72.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.166 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.49 -44.11 97.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HA ' HD12 ' A' ' 28' ' ' ILE . 43.1 tttp -54.62 -43.32 72.15 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.248 0.342 . . . . 0.0 111.082 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.75 89.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.612 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.52 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 13.1 tpt180 -70.4 -41.02 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.655 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 24' ' ' ALA . 80.8 mt -56.91 -52.85 50.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.034 0.445 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.53 -22.88 63.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.512 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -70.59 -45.42 65.38 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 72.8 mt -59.46 -39.42 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.759 179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.957 0.408 . . . . 0.0 110.804 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -65.84 -26.68 67.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.29 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.12 -35.66 78.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.981 0.42 . . . . 0.0 110.003 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.34 -5.53 59.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.75 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 68.72 32.98 3.93 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.924 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -121.37 144.41 48.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.777 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.66 12.37 32.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.019 0.438 . . . . 0.0 110.094 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.463 HG12 ' HB2' ' A' ' 4' ' ' ARG . 63.7 mt -122.2 135.25 62.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.434 178.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 5' ' ' TRP . 11.9 m -106.47 142.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.334 0.588 . . . . 0.0 110.358 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 37.8 p -107.34 162.65 19.03 Favored Pre-proline 0 C--N 1.315 -0.904 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.572 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.3 Cg_endo -59.31 -24.26 73.54 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.185 1.923 . . . . 0.0 111.392 176.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.89 -49.08 77.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.843 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.21 -39.31 78.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.67 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 28' ' ' ILE . 44.5 t -58.85 -46.18 91.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.178 177.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -58.47 -53.11 62.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.215 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 61.7 mm-40 -55.92 -43.95 77.84 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.41 -179.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.28 88.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.836 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -67.31 -38.61 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -33.63 74.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 13.1 mm-40 -59.4 -46.59 88.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.056 0.455 . . . . 0.0 110.331 175.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 82.7 m-85 -79.83 -24.69 41.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.62 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.84 -34.91 91.15 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.488 ' OE1' ' HA ' ' A' ' 54' ' ' GLN . 12.5 mm-40 -78.43 -29.93 47.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.59 0.233 . . . . 0.0 110.583 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' HB2' ' HA ' ' A' ' 52' ' ' PHE . 1.1 mp -56.92 -29.86 63.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.097 0.475 . . . . 0.0 110.818 176.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -77.0 71.75 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.536 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -98.82 -67.05 0.86 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 171.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -153.57 100.0 2.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.932 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -98.78 117.59 33.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.22 0.533 . . . . 0.0 111.127 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -97.96 -26.99 14.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.385 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -100.38 134.67 42.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.595 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--O 1.245 0.833 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.728 178.541 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.509 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 42.9 m-80 60.46 95.02 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 111.036 -175.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.69 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 65.1 mt -86.64 178.72 6.96 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.674 -174.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -77.14 105.04 7.98 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.257 0.551 . . . . 0.0 110.532 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.597 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 52.5 m95 -86.09 124.97 33.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.296 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.5 p -71.31 155.74 40.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.8 m -56.45 -37.62 70.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.959 0.409 . . . . 0.0 111.038 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.16 -37.63 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.61 88.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.326 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -58.91 -42.72 90.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.908 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.6 m -66.97 -35.91 81.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.104 0.478 . . . . 0.0 110.73 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -71.68 -37.35 70.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.32 -41.74 98.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.887 0.375 . . . . 0.0 110.094 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.83 -14.33 61.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.97 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -76.91 -25.52 53.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.402 HG12 ' HD3' ' A' ' 49' ' ' ARG . 66.4 mt -80.38 134.38 55.15 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.814 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -50.78 137.29 42.71 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.056 2.504 . . . . 0.0 112.22 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -57.83 -25.26 60.39 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.96 0.409 . . . . 0.0 111.101 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -64.4 -30.39 71.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.191 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.95 7.39 9.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -71.58 -44.69 64.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.495 -174.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -67.4 -37.01 82.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.024 0.44 . . . . 0.0 109.848 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 6.1 tp-100 -62.26 -46.35 89.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.043 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.52 -42.7 99.69 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.845 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.597 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.9 tttm -53.92 -45.51 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.877 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.41 89.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.867 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 11.2 mmt85 -67.6 -49.59 62.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.495 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.492 ' HA ' HD12 ' A' ' 31' ' ' LEU . 71.0 mt -57.92 -47.12 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.544 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.509 ' OE2' ' HA ' ' A' ' 2' ' ' ASN . 56.5 mt-10 -70.95 -25.08 62.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.81 -44.43 73.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 59.0 mt -59.31 -42.86 92.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.784 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.5 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -67.32 -41.6 85.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.36 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -68.11 -25.39 65.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.995 0.426 . . . . 0.0 110.572 176.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -72.49 -34.98 68.06 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.2 -3.65 55.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.048 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 70.13 25.98 4.57 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.125 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -121.52 161.21 22.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.326 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.69 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 18.8 t70 -106.08 -14.41 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.265 0.555 . . . . 0.0 110.183 -178.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.4 mt -98.66 123.93 51.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.478 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 5' ' ' TRP . 13.3 m -97.72 135.54 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.175 0.512 . . . . 0.0 110.318 177.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.2 p -101.96 157.85 32.89 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.524 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.27 -27.9 77.23 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.578 2.185 . . . . 0.0 112.805 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.8 -44.0 97.42 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 120.583 0.23 . . . . 0.0 110.704 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.47 -36.2 80.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.802 0.334 . . . . 0.0 110.703 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.438 HG22 HD13 ' A' ' 28' ' ' ILE . 48.4 t -65.29 -45.36 93.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.238 0.542 . . . . 0.0 110.089 176.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -43.57 98.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.112 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -54.36 -49.42 69.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.365 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -61.71 -35.59 78.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.047 0.451 . . . . 0.0 110.748 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.402 ' HD3' HG12 ' A' ' 16' ' ' ILE . 28.0 tpt85 -69.62 -36.49 76.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.003 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.49 -32.8 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.527 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 47.6 mm-40 -56.04 -47.38 77.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.18 0.514 . . . . 0.0 109.719 171.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -80.24 -2.94 47.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.944 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.9 -24.13 13.81 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.166 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -102.37 -35.78 8.69 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.9 mt -74.4 -87.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.287 0.565 . . . . 0.0 111.216 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.35 175.27 5.53 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.9 m80 62.58 52.01 3.02 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -53.72 120.84 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.726 -174.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -67.86 142.12 56.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.936 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -128.75 138.8 52.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -73.71 144.78 45.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.132 0.491 . . . . 0.0 110.947 -176.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 C--O 1.246 0.871 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.725 175.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -69.5 157.63 36.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.152 0.501 . . . . 0.0 110.984 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.9 mt -97.86 -179.41 4.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.815 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -87.46 120.13 28.45 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.404 0.621 . . . . 0.0 110.764 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.644 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -102.36 130.28 49.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.092 -175.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 35.4 p -70.19 157.47 37.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.564 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 22.7 t -59.13 -31.35 68.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.232 0.539 . . . . 0.0 110.097 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -70.06 -44.97 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.816 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.25 96.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.091 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 6' ' ' THR . 63.3 mttm -55.9 -51.6 67.03 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.024 0.44 . . . . 0.0 110.311 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 m -64.12 -39.46 94.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.057 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -62.56 -39.59 94.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.342 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.608 HD12 HD12 ' A' ' 16' ' ' ILE . 55.8 tp -61.94 -37.13 83.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 91.3 mttt -68.94 -16.14 63.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.39 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -76.13 -27.05 56.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.156 0.503 . . . . 0.0 110.206 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.608 HD12 HD12 ' A' ' 13' ' ' LEU . 55.1 mt -72.77 130.07 85.89 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.643 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.89 138.87 69.73 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.949 2.433 . . . . 0.0 112.334 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -56.58 -25.27 52.0 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.322 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -63.19 -26.72 68.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.256 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 12.01 4.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.72 -175.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -69.99 -49.15 54.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -172.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -68.95 -31.14 69.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -68.46 -45.5 72.29 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -64.83 -42.98 94.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.6 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.644 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 88.3 tttt -53.94 -43.34 69.73 Favored 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.269 0.356 . . . . 0.0 110.579 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.0 93.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.165 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 24.6 ttm180 -70.12 -37.79 75.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 24' ' ' ALA . 82.4 mt -59.93 -49.88 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.792 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 50.3 mt-10 -67.68 -29.25 68.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.038 0.447 . . . . 0.0 110.201 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.26 -45.44 84.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.276 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 71.7 mt -61.3 -37.42 83.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.494 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -68.09 -30.42 69.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 11.1 mmm180 -67.0 -38.24 85.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 0.0 110.055 175.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -72.67 -32.69 66.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.148 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.27 -14.09 60.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.084 175.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 61.5 57.64 2.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.707 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -148.81 158.26 44.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.412 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -98.91 -14.14 19.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.768 0.318 . . . . 0.0 110.4 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.6 mt -108.63 124.87 65.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.223 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 5' ' ' TRP . 19.4 m -93.45 137.68 22.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.421 0.629 . . . . 0.0 110.776 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.527 ' HB ' ' OE1' ' A' ' 43' ' ' GLU . 2.6 p -98.81 155.48 36.61 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.379 177.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.38 -31.54 77.82 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.822 2.348 . . . . 0.0 112.588 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.527 ' OE1' ' HB ' ' A' ' 41' ' ' THR . 5.1 mp0 -60.69 -40.93 94.01 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.07 -34.84 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 110.33 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 28' ' ' ILE . 62.1 t -63.98 -46.65 93.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.216 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' OE2' ' HD3' ' A' ' 49' ' ' ARG . 4.7 tp10 -64.21 -39.75 94.63 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.99 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -52.67 -52.58 55.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.812 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.4 74.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.978 0.418 . . . . 0.0 110.881 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD3' ' OE2' ' A' ' 46' ' ' GLU . 54.7 ttt180 -71.93 -36.22 69.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.216 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -42.16 95.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.436 176.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 42.5 mm-40 -52.49 -58.86 5.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.109 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . 76.0 m-85 -65.84 -26.8 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.91 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.84 -17.75 75.51 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.767 176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -115.11 3.48 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.7 0.286 . . . . 0.0 111.016 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . 3.0 tm? -111.96 -38.08 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.45 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 55.84 -103.03 0.17 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.019 0.438 . . . . 0.0 110.106 -172.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -148.83 -53.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 174.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -140.23 115.46 9.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.805 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -64.35 118.22 8.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.346 -177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -65.56 128.26 35.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.076 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -102.06 160.62 14.35 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.947 178.729 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 64.39 156.04 0.07 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.521 0.677 . . . . 0.0 111.286 -174.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.56 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 42.5 mt -92.95 178.94 5.6 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -80.29 110.78 16.05 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.674 0.75 . . . . 0.0 111.177 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.581 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 51.0 m95 -95.69 122.22 38.23 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.905 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.9 p -69.18 155.31 40.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.594 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.0 p -57.88 -34.39 69.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.273 0.558 . . . . 0.0 110.538 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -70.58 -39.67 73.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.438 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.89 89.88 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.014 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 6' ' ' THR . 95.1 mttt -54.46 -45.3 73.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.565 175.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -62.49 -40.11 95.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.086 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -67.35 -39.47 85.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.064 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.64 HD12 HD12 ' A' ' 16' ' ' ILE . 29.9 tp -63.83 -32.11 73.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.144 0.497 . . . . 0.0 110.359 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -75.6 -6.87 52.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.344 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -88.69 -12.73 41.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.229 175.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.64 HD12 HD12 ' A' ' 13' ' ' LEU . 45.0 mt -88.64 133.85 35.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.815 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.92 129.57 33.65 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.643 2.229 . . . . 0.0 111.678 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -51.67 -31.79 27.11 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -63.9 -35.89 82.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.387 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.9 6.18 16.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.968 0.414 . . . . 0.0 110.758 -176.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.542 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 20.7 ttm180 -67.99 -47.21 69.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.453 ' HA ' ' HB3' ' A' ' 25' ' ' LYS . 26.3 m -69.37 -31.72 70.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.511 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -63.31 -50.05 71.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.913 175.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.5 -43.14 99.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.03 176.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 35.6 tttp -57.05 -41.01 77.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.561 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 30' ' ' GLN . . . -61.28 -38.94 88.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.919 0.39 . . . . 0.0 110.723 176.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.496 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 35.9 ttt85 -72.58 -40.47 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 177.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 24' ' ' ALA . 80.7 mt -57.5 -52.33 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 110.793 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 52.7 mt-10 -67.91 -25.06 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.63 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 26' ' ' ALA . 1.2 tp-100 -73.16 -41.2 64.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.211 176.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 39.7 mt -59.34 -43.69 92.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.311 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.25 -36.04 78.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.975 177.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.633 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 44.2 mtp180 -67.59 -32.95 74.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.939 177.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -69.64 -24.1 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.147 0.499 . . . . 0.0 109.992 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.22 -9.18 46.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.41 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 4.5 mm-40 62.13 44.67 7.68 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.354 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -132.95 148.83 52.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.645 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.56 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 14.2 t70 -88.75 -21.3 23.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.478 0.656 . . . . 0.0 109.434 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.5 mt -90.86 122.9 42.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.805 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 5' ' ' TRP . 19.7 m -97.09 135.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.403 0.621 . . . . 0.0 110.129 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.454 ' HB ' ' OE1' ' A' ' 43' ' ' GLU . 26.5 p -98.0 154.38 37.78 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.097 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.505 ' HG2' ' OE2' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -58.46 -26.19 76.97 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.59 2.193 . . . . 0.0 112.124 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.505 ' OE2' ' HG2' ' A' ' 42' ' ' PRO . 4.7 mp0 -59.38 -42.72 92.33 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.09 176.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -70.15 -38.96 75.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.73 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.404 HG13 HD13 ' A' ' 28' ' ' ILE . 51.4 t -61.35 -49.96 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 110.388 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.72 -43.31 96.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.287 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 60.5 tp60 -54.41 -50.28 67.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.43 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.423 ' HA ' ' CG ' ' A' ' 51' ' ' GLU . . . -62.8 -29.96 71.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.246 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -72.17 -30.93 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 50' ' ' LEU . 2.7 mm? -78.14 -32.37 50.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.605 176.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 9.7 mm-40 -52.85 -48.42 67.06 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -85.76 -21.9 27.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.07 -35.82 92.47 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.709 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -102.38 -10.16 19.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.5 tp 61.54 45.05 8.58 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.723 0.773 . . . . 0.0 109.194 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.821 ' HG3' ' H ' ' A' ' 57' ' ' HIS . 15.2 pt-20 38.9 -88.28 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 113.282 -1.781 . . . . 0.0 113.927 -175.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.821 ' H ' ' HG3' ' A' ' 56' ' ' GLU . 71.9 t60 64.55 16.42 10.27 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.491 0.662 . . . . 0.0 109.556 -176.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 47.79 58.14 5.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.294 -170.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -54.71 132.57 45.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.927 -175.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -81.4 17.81 1.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.659 -174.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.7 m170 63.77 -170.07 0.19 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.26 0.35 . . . . 0.0 110.555 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 119.218 -0.42 . . . . 0.0 109.923 176.342 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 121.098 0.475 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.498 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 3.2 p-10 -152.25 140.31 20.22 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 48.9 mt -93.93 -179.48 4.99 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.551 ' HD3' HG12 ' A' ' 39' ' ' ILE . 21.0 ttt180 -73.76 96.6 2.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.544 0.688 . . . . 0.0 110.319 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.669 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 53.8 m95 -82.3 123.52 29.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.499 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 20.9 p -68.06 155.27 39.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 m -57.95 -36.21 72.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.925 0.393 . . . . 0.0 111.263 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -74.51 -36.64 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.115 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.81 -41.77 97.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.375 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 6' ' ' THR . 57.4 mtpt -58.44 -45.31 88.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.507 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.3 m -64.61 -42.15 95.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.563 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -60.88 -42.25 97.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.163 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.468 HD12 HD12 ' A' ' 16' ' ' ILE . 55.5 tp -60.5 -37.77 82.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.756 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -71.98 -8.2 53.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.332 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -95.66 2.31 54.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.091 0.472 . . . . 0.0 110.341 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.468 HD12 HD12 ' A' ' 13' ' ' LEU . 63.2 mt -96.34 132.16 27.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.592 173.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.77 141.3 28.21 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.212 2.608 . . . . 0.0 112.658 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -49.34 -47.59 47.19 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -57.81 -31.58 66.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.953 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.16 1.02 14.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.586 -176.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -66.85 -40.28 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 p -71.94 -40.89 68.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.737 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -63.37 -47.72 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.485 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.511 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.45 -42.91 99.8 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.693 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.669 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 59.8 tttm -52.25 -44.67 65.02 Favored 'General case' 0 C--O 1.231 0.082 0 O-C-N 123.235 0.334 . . . . 0.0 110.722 177.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 30' ' ' GLN . . . -60.32 -43.9 95.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.555 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.569 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 8.7 mmm180 -68.3 -39.49 82.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.608 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.523 HD13 HG22 ' A' ' 45' ' ' VAL . 87.2 mt -61.37 -47.17 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.202 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.498 ' OE2' ' HA ' ' A' ' 2' ' ' ASN . 82.2 mt-10 -67.68 -28.45 67.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.047 0.451 . . . . 0.0 110.557 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 15.9 mm100 -75.71 -34.57 60.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.571 175.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 98.0 mt -64.61 -34.58 78.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 174.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -67.14 -38.6 85.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.279 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' HA ' ' HD3' ' A' ' 33' ' ' ARG . 24.1 mmt180 -70.38 -25.35 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.846 176.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -76.84 -30.28 56.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.24 0.543 . . . . 0.0 109.604 174.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.22 -5.5 59.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.251 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 62.76 42.05 8.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.313 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -144.2 155.49 43.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.021 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 19.2 t70 -90.64 -23.19 20.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.409 0.623 . . . . 0.0 110.209 -177.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.551 HG12 ' HD3' ' A' ' 4' ' ' ARG . 37.5 mt -86.37 118.04 31.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.354 -177.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.654 HG22 ' HA ' ' A' ' 5' ' ' TRP . 3.8 m -92.7 138.79 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.9 p -104.67 161.84 21.61 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.213 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -58.73 -22.08 59.56 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.268 1.979 . . . . 0.0 111.664 175.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.42 -48.71 80.6 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.185 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.34 -40.94 81.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.906 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.523 HG22 HD13 ' A' ' 28' ' ' ILE . 31.6 t -63.16 -43.51 98.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.339 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -57.88 -52.99 63.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.357 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.593 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 2.7 mm-40 -53.19 -46.56 69.03 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.464 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.06 90.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.063 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HD3' HG12 ' A' ' 16' ' ' ILE . 42.9 ttp180 -74.07 -30.37 62.35 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.284 0.564 . . . . 0.0 109.568 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -42.36 88.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.461 177.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 18.2 mm-40 -54.12 -57.25 11.81 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.571 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -68.41 -27.55 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.839 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.06 -27.55 73.75 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.497 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 15.9 mm-40 -88.12 -32.22 18.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.357 . . . . 0.0 110.557 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 97.3 mt -65.97 -52.89 45.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.236 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 65.32 -67.96 0.12 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.037 0.835 . . . . 0.0 111.594 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -103.08 149.14 24.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.289 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -63.96 106.48 1.04 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.257 0.551 . . . . 0.0 110.394 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -66.35 -70.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.557 -172.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -109.52 -43.28 4.12 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.354 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 67.3 t60 69.04 -66.01 0.27 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.852 0.72 . . . . 0.0 111.118 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.76 177.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.943 0.401 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -163.82 147.75 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 mt -86.87 179.68 6.68 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.985 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -85.59 115.03 23.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.018 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.579 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 46.1 m95 -97.82 123.86 41.96 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.426 -177.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 p -68.78 152.65 45.04 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.8 t -59.24 -35.45 73.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.968 0.413 . . . . 0.0 110.291 -176.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.17 -35.91 74.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.748 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.6 82.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.467 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -57.65 -41.74 82.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.553 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -61.74 -47.4 85.37 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.568 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -59.27 -42.2 90.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.298 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' HG ' ' NH1' ' A' ' 21' ' ' ARG . 47.8 tp -60.87 -34.68 74.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.003 -178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -76.82 -17.77 58.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.763 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -90.17 -6.2 55.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.943 0.401 . . . . 0.0 110.689 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.5 mt -82.46 132.17 53.28 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.865 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.57 145.91 56.25 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.203 2.602 . . . . 0.0 112.584 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.52 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 88.6 t80 -55.7 -38.01 69.13 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.626 -177.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -57.77 -32.45 67.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.97 -2.95 22.28 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.697 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.52 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 6.6 mmm180 -53.35 -58.97 5.24 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.7 t -67.47 -37.5 82.99 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.981 0.419 . . . . 0.0 110.691 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -67.14 -44.15 80.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.759 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.23 -52.15 50.61 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.967 -178.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 59.8 tttm -52.35 -45.32 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.332 0.395 . . . . 0.0 110.805 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' A' ' 30' ' ' GLN . . . -55.82 -51.19 68.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.759 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -69.26 -38.85 78.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.384 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 24' ' ' ALA . 97.6 mt -57.27 -47.88 83.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.971 0.415 . . . . 0.0 110.497 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 51.5 mt-10 -69.66 -26.1 64.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 96.3 mt-30 -72.67 -38.02 67.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.094 0.474 . . . . 0.0 109.834 173.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 28' ' ' ILE . 83.2 mt -62.48 -31.08 71.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.409 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.558 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -70.78 -37.05 73.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.42 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 50.2 mtt180 -64.75 -37.12 86.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.457 0.646 . . . . 0.0 109.456 174.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -66.14 -35.93 81.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.329 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.24 -4.78 59.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.783 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.52 57.81 2.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.818 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -153.45 156.54 38.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.552 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -83.91 -11.64 56.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.257 0.551 . . . . 0.0 110.101 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.1 mt -105.42 138.81 28.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.802 -173.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.579 HG22 ' HA ' ' A' ' 5' ' ' TRP . 13.3 m -104.69 134.84 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 p -101.19 155.96 35.72 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.291 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.418 ' HG2' ' OE2' ' A' ' 43' ' ' GLU . 11.1 Cg_endo -56.75 -25.26 59.7 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.485 2.123 . . . . 0.0 112.18 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' OE2' ' HG2' ' A' ' 42' ' ' PRO . 2.9 mp0 -58.98 -46.91 86.95 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 110.538 175.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.95 -35.79 79.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.783 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.43 -44.47 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.121 0.486 . . . . 0.0 109.835 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -61.18 -50.3 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.102 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -52.01 -54.35 30.97 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.411 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.81 75.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.966 0.412 . . . . 0.0 110.621 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 49' ' ' ARG . 41.5 ttt-85 -65.94 -47.51 74.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.497 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -33.29 68.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.557 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 18.8 mm-40 -53.96 -49.58 68.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.027 0.441 . . . . 0.0 110.343 175.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -72.61 -32.03 65.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.449 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.65 -24.12 73.97 Favored Glycine 0 C--N 1.333 0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.384 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -87.66 -24.28 23.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.636 0.255 . . . . 0.0 110.712 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 94.8 mt -76.89 -96.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.604 178.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 44.18 -91.32 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.938 0.774 . . . . 0.0 111.749 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -91.73 88.17 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.215 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -88.61 35.59 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.271 0.558 . . . . 0.0 111.006 -172.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -130.83 -50.79 1.05 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.943 174.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.8 p80 40.79 66.75 0.59 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.178 0.924 . . . . 0.0 112.043 -177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -130.64 123.13 28.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.858 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.96 -179.309 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 66.79 99.13 0.05 OUTLIER 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.824 0.702 . . . . 0.0 109.274 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 38' ' ' ASP . 93.8 mt -71.98 169.32 16.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.602 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.55 ' HD3' HG12 ' A' ' 39' ' ' ILE . 79.2 ttt180 -84.71 125.6 32.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.648 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.587 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 51.3 m95 -103.83 128.22 51.28 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.502 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.6 p -72.99 167.95 20.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.562 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -37.72 74.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.942 0.401 . . . . 0.0 110.656 177.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -72.5 -40.82 66.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.958 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.81 94.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.977 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -61.36 -45.3 94.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.386 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.5 m -64.13 -46.2 85.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.732 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' HB3' HG11 ' A' ' 45' ' ' VAL . 58.1 mmtt -57.37 -45.15 84.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.449 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.9 -35.01 79.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 0.0 110.858 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -75.83 -21.82 56.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -81.19 -7.11 59.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.606 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.457 HG12 ' HD2' ' A' ' 49' ' ' ARG . 11.1 mt -91.23 128.54 46.9 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.799 176.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -40.77 134.72 2.31 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.671 2.914 . . . . 0.0 113.004 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -49.87 -46.75 51.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.021 -173.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -66.68 -19.03 65.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.863 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.96 -3.16 15.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.657 0.265 . . . . 0.0 111.126 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -72.51 -42.01 65.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.194 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 m -61.98 -44.36 96.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.275 0.56 . . . . 0.0 110.04 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.69 -36.5 82.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.584 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.95 -44.43 80.61 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.761 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.0 tttm -56.63 -40.16 74.9 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.167 0.292 . . . . 0.0 110.814 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.27 97.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.014 0.435 . . . . 0.0 110.649 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.608 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -64.3 -47.22 80.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.392 177.31 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.523 HD13 HG22 ' A' ' 45' ' ' VAL . 88.9 mt -60.88 -51.18 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.967 -176.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -65.37 -29.23 69.93 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.611 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -69.49 -40.73 76.85 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 88.9 mt -64.31 -38.95 92.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.392 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.6 -36.49 82.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 177.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -66.77 -31.2 71.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.031 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -64.98 -41.33 95.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 174.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.5 -11.94 60.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.507 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 63.54 38.96 9.36 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.096 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -128.78 166.15 19.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.93 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.506 ' HA ' HD22 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -98.76 -12.61 20.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 0.0 111.337 -176.7 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.55 HG12 ' HD3' ' A' ' 4' ' ' ARG . 45.9 mt -105.32 125.79 60.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.331 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' ' 5' ' ' TRP . 10.5 m -92.54 141.0 15.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.4 p -103.92 159.68 28.52 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.077 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.83 -25.25 75.7 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.259 1.972 . . . . 0.0 111.005 175.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.61 -47.96 82.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.683 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -69.24 -35.99 76.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.779 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.523 HG22 HD13 ' A' ' 28' ' ' ILE . 42.3 t -63.65 -46.0 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 0.0 110.058 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -62.89 -44.06 97.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.76 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 53.9 tp60 -55.01 -47.27 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.698 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.33 79.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.152 0.501 . . . . 0.0 110.931 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.506 ' HE ' ' HA ' ' A' ' 49' ' ' ARG . 1.5 tpm_? -68.9 -38.9 79.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.657 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -64.42 -39.7 94.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.892 177.219 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 9.1 mm-40 -52.68 -51.68 59.21 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.237 178.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -74.86 -23.91 58.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.008 0.432 . . . . 0.0 110.741 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.99 -52.02 45.69 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.948 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.665 ' HA ' ' HB2' ' A' ' 58' ' ' HIS . 26.8 pt20 -81.73 -12.59 58.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.983 0.421 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 9.5 tt -61.95 -47.2 85.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.524 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -126.75 -78.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.347 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -87.44 75.37 9.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.491 0.663 . . . . 0.0 112.072 -171.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.665 ' HB2' ' HA ' ' A' ' 54' ' ' GLN . 10.0 t-160 -105.47 9.17 33.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -113.82 113.23 24.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.204 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -59.54 120.42 9.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.092 0.472 . . . . 0.0 110.862 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -86.93 -4.18 59.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.493 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.4 m170 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.437 -0.792 . . . . 0.0 108.917 172.037 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HG3' ' HD3' ' A' ' 33' ' ' ARG . 26.1 mmt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.7 t30 62.72 71.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.777 0.799 . . . . 0.0 109.788 -175.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 86.2 mt -82.41 -178.88 7.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.152 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' A' ' 4' ' ' ARG . 19.1 ttt-85 -74.14 101.76 4.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.596 ' HA ' HG22 ' A' ' 40' ' ' VAL . 50.3 m95 -82.18 124.4 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.483 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.0 p -69.71 160.14 32.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.928 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -60.91 -36.37 79.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.473 0.654 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.51 -39.95 77.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.839 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.45 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -61.85 -46.92 87.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.799 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 63.7 mttm -55.01 -44.94 75.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.797 175.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.7 m -65.64 -42.05 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -63.12 -38.0 89.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.836 0.35 . . . . 0.0 110.577 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.647 HD12 HD12 ' A' ' 16' ' ' ILE . 53.7 tp -64.43 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.839 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 98.4 mttt -72.09 -13.66 61.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.086 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -83.11 -15.5 50.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.953 0.406 . . . . 0.0 110.514 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.647 HD12 HD12 ' A' ' 13' ' ' LEU . 67.4 mt -84.51 127.2 66.72 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.953 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.55 149.5 30.96 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.071 2.514 . . . . 0.0 112.698 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.05 -39.16 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.403 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.97 -27.95 63.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.474 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.23 9.14 13.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.326 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -59.12 -53.13 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -74.68 -29.45 61.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.09 -51.22 48.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.353 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.81 -41.06 99.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.489 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.5 tttm -54.11 -44.9 71.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.769 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.47 94.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.639 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 17.9 ttm180 -69.39 -38.86 78.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.28 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 24' ' ' ALA . 93.4 mt -59.01 -47.43 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.405 . . . . 0.0 110.897 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -71.18 -22.78 61.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.897 0.379 . . . . 0.0 110.781 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -50.06 37.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 172.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 75.3 mt -57.42 -39.83 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.013 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.523 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.1 -44.69 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HD3' ' HG3' ' A' ' 1' ' ' MET . 52.2 mtm180 -65.34 -36.22 83.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.979 0.419 . . . . 0.0 110.531 177.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.69 -35.61 81.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.98 -2.89 58.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.632 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 63.81 37.05 10.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.206 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -118.42 139.09 51.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.067 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 7.2 m-20 -92.25 -12.39 32.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.892 0.853 . . . . 0.0 109.108 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -111.09 109.48 28.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.247 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 5' ' ' TRP . 18.4 m -77.2 128.12 38.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.691 0.758 . . . . 0.0 110.037 -176.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.5 p -89.99 154.34 47.41 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.14 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.82 -23.67 68.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.565 2.176 . . . . 0.0 111.681 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.76 -49.5 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.029 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.08 -36.71 82.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.206 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.45 HG21 ' HB1' ' A' ' 9' ' ' ALA . 61.4 t -64.16 -46.32 93.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.79 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -69.31 -38.4 78.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.227 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -54.42 -47.64 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.046 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.82 -30.59 71.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -66.43 -31.51 72.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 50' ' ' LEU . 3.3 mm? -82.0 -25.35 34.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.438 178.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -56.24 -51.88 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.414 0.626 . . . . 0.0 109.563 171.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -81.05 -20.24 42.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.823 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.22 -26.94 64.97 Favored Glycine 0 C--O 1.224 -0.489 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.431 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -88.36 -32.67 18.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.735 -0.274 . . . . 0.0 110.685 176.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.82 -31.65 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.177 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 56.51 80.74 0.14 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.961 176.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -88.88 55.59 3.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.852 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -74.29 159.67 32.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.783 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -138.1 -176.83 4.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.736 0.303 . . . . 0.0 111.562 -175.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -66.2 113.74 4.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -169.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 32.3 m170 53.31 74.17 0.32 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.995 0.809 . . . . 0.0 112.528 173.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 12.1 t60 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.62 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 ttt . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 65.3 83.97 0.16 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.398 0.618 . . . . 0.0 110.269 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 79.1 mt -79.2 179.52 7.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.741 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' HB3' HD13 ' A' ' 39' ' ' ILE . 38.2 ttt180 -85.19 122.25 29.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 0.0 110.398 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.581 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 63.6 m95 -96.46 127.34 42.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.635 -178.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.1 p -66.95 158.67 30.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 171.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p -56.91 -39.95 75.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.917 0.389 . . . . 0.0 110.956 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -67.13 -41.49 86.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.316 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.16 94.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.881 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 6' ' ' THR . 94.3 mttt -62.86 -42.19 99.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.416 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 m -64.46 -45.16 88.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.502 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -63.64 -35.23 79.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.37 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.51 HD12 HD12 ' A' ' 16' ' ' ILE . 36.9 tp -63.94 -32.91 74.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.195 0.522 . . . . 0.0 109.841 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -73.52 -9.2 58.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.293 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.52 -23.55 42.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.017 0.437 . . . . 0.0 109.9 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 HD12 ' A' ' 13' ' ' LEU . 28.0 mt -83.45 128.16 65.37 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.862 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.6 142.39 49.76 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.959 2.439 . . . . 0.0 111.975 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -57.31 -27.74 62.44 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.552 -174.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.27 -32.26 73.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.389 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.1 -5.72 10.94 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -174.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -64.12 -43.64 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -173.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 t -71.03 -37.17 72.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.353 0.597 . . . . 0.0 110.175 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -69.14 -39.63 78.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.356 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.541 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.47 -39.11 85.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.448 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 57.0 tttm -57.61 -43.82 84.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.769 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.36 84.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.982 0.42 . . . . 0.0 110.45 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.473 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 21.9 tpt180 -64.8 -44.65 89.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.379 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 24' ' ' ALA . 76.2 mt -59.76 -48.94 85.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -56.73 -39.58 74.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 21.9 tt0 -69.83 -39.89 76.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.399 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 89.6 mt -62.66 -38.62 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -65.95 -35.24 80.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -67.99 -29.18 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.527 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 81.5 mt-30 -76.08 -29.89 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.116 0.484 . . . . 0.0 110.151 176.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.01 -9.69 59.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.526 171.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 63.75 47.41 3.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.223 175.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -148.6 163.11 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.925 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 26.7 m-20 -100.81 -0.69 36.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.072 0.463 . . . . 0.0 110.32 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 4' ' ' ARG . 37.7 mm -100.32 123.38 53.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.726 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 5' ' ' TRP . 17.1 m -98.05 131.8 44.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.303 0.573 . . . . 0.0 110.074 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.447 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.7 p -95.63 162.1 25.45 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 176.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.7 Cg_endo -58.1 -24.33 65.67 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.319 2.012 . . . . 0.0 111.316 177.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.18 -56.31 23.77 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.451 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.95 -38.7 89.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.16 -47.94 91.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.547 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -71.92 -38.6 69.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.711 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 71.5 mm-40 -54.86 -43.49 73.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.656 0.265 . . . . 0.0 110.508 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -69.25 -32.03 70.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.702 178.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.506 ' HD3' HG12 ' A' ' 16' ' ' ILE . 24.6 ttp180 -68.05 -33.54 74.77 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 50' ' ' LEU . 2.7 mm? -74.82 -28.26 60.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.018 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 12.1 mm-40 -54.91 -51.85 64.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.671 0.748 . . . . 0.0 109.208 172.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 96.4 m-85 -81.1 -18.64 45.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.428 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.0 -33.78 56.72 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 174.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 16.8 mm-40 -74.04 -27.58 61.0 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.325 0.583 . . . . 0.0 109.542 173.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.1 mt -86.66 -94.88 0.09 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.51 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 57.36 12.35 1.4 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.305 0.574 . . . . 0.0 110.799 -170.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -144.62 158.41 43.78 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -69.33 138.16 53.52 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.721 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -59.41 -51.77 68.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -155.15 -170.71 3.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -107.53 130.85 54.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 169.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.179 -176.6 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -87.36 131.81 34.16 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.23 -179.99 6.81 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -86.74 109.37 19.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.345 0.593 . . . . 0.0 110.433 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.608 ' HA ' HG22 ' A' ' 40' ' ' VAL . 45.3 m95 -92.42 127.71 38.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.878 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.5 p -72.9 153.48 40.99 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.3 m -59.36 -33.12 70.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.225 0.536 . . . . 0.0 110.135 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.36 -44.81 82.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.434 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -62.87 -45.38 92.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.938 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 64.0 mtpt -57.05 -40.14 76.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 m -67.34 -44.08 79.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.679 0.276 . . . . 0.0 110.538 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -57.72 -38.87 76.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.607 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.658 HD12 HD12 ' A' ' 16' ' ' ILE . 52.1 tp -64.76 -33.98 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.878 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 96.9 mttt -71.19 -17.1 62.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -82.68 -13.2 56.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.547 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.658 HD12 HD12 ' A' ' 13' ' ' LEU . 56.6 mt -84.57 133.13 44.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.261 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.35 139.1 22.77 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.393 2.729 . . . . 0.0 112.815 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -48.11 -40.04 22.28 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -72.75 -45.34 59.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -176.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.92 -11.35 57.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.346 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 21' ' ' ARG . 24.9 ttp180 -62.17 -37.0 83.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.674 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 t -71.52 -39.26 70.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.083 0.468 . . . . 0.0 110.104 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -70.15 -41.34 73.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.474 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.8 -48.57 78.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.56 177.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.7 tttm -51.84 -43.27 63.13 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.448 0.467 . . . . 0.0 110.71 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.99 78.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.978 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 60.1 ttt180 -72.69 -35.86 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.189 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 24' ' ' ALA . 90.5 mt -59.12 -50.75 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.913 0.387 . . . . 0.0 110.984 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.16 -26.3 63.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.048 0.451 . . . . 0.0 110.568 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -41.4 79.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.07 174.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 67.0 mt -60.56 -41.6 94.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.799 178.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.544 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -65.49 -35.27 80.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 33' ' ' ARG . 19.8 mtp180 -74.97 -26.16 59.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.205 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -69.43 -30.55 68.51 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 173.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.0 -11.31 53.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.295 173.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.59 45.0 3.71 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.45 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -132.52 159.69 38.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.686 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.21 -15.56 31.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.849 0.357 . . . . 0.0 111.354 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 58.5 mt -101.49 132.33 47.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.746 -173.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.608 HG22 ' HA ' ' A' ' 5' ' ' TRP . 13.8 m -101.43 130.35 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.407 0.622 . . . . 0.0 109.361 173.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.8 p -94.33 159.11 34.63 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.838 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.97 -23.64 52.89 Favored 'Trans proline' 0 CA--C 1.528 0.205 0 C-N-CA 122.409 2.073 . . . . 0.0 111.69 177.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.31 -55.59 32.83 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.928 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.6 -39.88 94.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.449 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.477 HG21 ' HB1' ' A' ' 9' ' ' ALA . 61.3 t -60.37 -48.4 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.038 0.447 . . . . 0.0 110.806 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -70.5 -40.99 73.23 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.039 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 60.9 tp60 -55.28 -47.84 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.419 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.29 80.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.636 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -66.35 -36.35 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -71.65 -41.34 68.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.163 178.031 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 79.9 mm-40 -52.6 -51.69 58.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 176.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 66.9 m-85 -70.54 -27.13 63.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.16 -19.41 72.08 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.734 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 50' ' ' LEU . 86.6 mt-30 -98.85 -26.56 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.376 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 87.5 mt -76.79 -40.76 47.06 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.238 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -78.4 155.69 29.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 0.0 110.318 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -66.63 145.22 55.82 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 172.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -66.44 110.16 3.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.162 0.506 . . . . 0.0 109.904 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -85.3 118.39 24.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.985 -169.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.6 t60 69.05 161.46 0.2 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.643 0.735 . . . . 0.0 112.831 165.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -49.13 128.02 15.63 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.264 170.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 . . . . . 0 C--N 1.315 -0.914 0 CA-C-O 118.493 -0.765 . . . . 0.0 110.067 -176.037 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 N--CA 1.45 -0.433 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -83.91 112.34 20.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.023 0.44 . . . . 0.0 110.388 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.578 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 48.5 m95 -92.13 124.18 36.02 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.551 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.2 p -70.92 157.42 38.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.91 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.1 m -57.06 -39.12 74.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.816 0.341 . . . . 0.0 110.772 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.19 -40.73 86.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.572 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.97 98.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.718 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 59.5 mtpt -54.47 -46.54 73.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.846 175.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.7 m -64.17 -41.5 97.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.917 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -62.81 -38.89 92.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.359 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.9 -34.78 78.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 110.342 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 59.5 mttm -68.51 -28.91 67.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.111 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -75.18 -13.02 60.42 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.967 0.413 . . . . 0.0 111.079 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.9 mt -83.91 138.92 40.03 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.847 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.43 136.18 68.6 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.778 2.318 . . . . 0.0 112.39 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.36 -35.66 70.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.11 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -61.54 -29.13 69.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.812 0.339 . . . . 0.0 111.496 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.68 13.84 14.3 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -71.54 -43.14 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.61 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -61.18 -43.26 99.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 21.8 tp60 -56.95 -50.5 72.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.641 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.454 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -65.01 -44.59 88.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.404 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.2 tttm -54.93 -43.63 73.54 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.806 0.336 . . . . 0.0 110.727 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.18 93.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.37 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 26.5 mmm180 -66.79 -49.19 66.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.882 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.524 HD13 HG22 ' A' ' 45' ' ' VAL . 76.6 mt -56.75 -50.26 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.604 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.06 -30.67 69.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.11 -35.47 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.071 0.463 . . . . 0.0 109.998 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 28' ' ' ILE . 61.6 mt -63.9 -38.45 91.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.048 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.534 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.9 -36.87 82.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.686 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -72.34 -26.14 61.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.006 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -67.88 -26.53 66.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.15 -4.51 27.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.105 176.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 56.54 41.96 27.9 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.983 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -110.6 145.17 38.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.469 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -89.31 -13.53 37.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.359 0.599 . . . . 0.0 109.757 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.1 mt -115.92 128.69 73.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.019 -175.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 32' ' ' ALA . 13.2 m -95.61 135.5 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.284 0.564 . . . . 0.0 110.343 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 69.7 p -97.13 161.81 24.93 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.798 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 20.4 Cg_endo -61.14 -18.56 58.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.392 2.062 . . . . 0.0 111.555 175.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -70.49 -39.21 74.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.29 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.02 -41.42 86.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.524 HG22 HD13 ' A' ' 28' ' ' ILE . 44.6 t -60.75 -43.0 94.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.35 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' OE2' ' HD3' ' A' ' 49' ' ' ARG . 7.1 tp10 -62.25 -44.18 97.14 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.925 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.497 HE21 ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -52.5 -48.89 65.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.615 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.41 80.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.349 0.595 . . . . 0.0 110.817 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD3' ' OE2' ' A' ' 46' ' ' GLU . 30.5 ttt-85 -71.11 -36.45 72.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.533 0.683 . . . . 0.0 109.965 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -73.12 -42.73 62.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.708 -177.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.94 -38.84 89.96 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.571 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 27' ' ' ARG . 22.0 m-30 . . . . . 0 C--N 1.334 -0.107 0 CA-C-O 120.852 0.358 . . . . 0.0 110.52 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 38' ' ' ASP . 69.9 mt . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 120.726 0.298 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -90.59 114.17 26.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.716 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.613 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -94.76 131.01 41.05 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.753 -176.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.51 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 53.9 p -78.56 162.85 26.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 p -57.87 -35.44 70.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.961 0.41 . . . . 0.0 111.16 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 1.6 mp0 -68.17 -47.16 68.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.876 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.255 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 6' ' ' THR . 54.6 mtpt -63.06 -38.48 91.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.422 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.2 m -70.99 -41.43 70.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.991 0.424 . . . . 0.0 110.604 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -57.8 -43.13 85.44 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.53 -40.68 97.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.101 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.82 -13.75 62.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.991 0.424 . . . . 0.0 111.091 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -88.49 -3.25 58.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.907 0.384 . . . . 0.0 110.535 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.567 HG12 ' HD3' ' A' ' 49' ' ' ARG . 40.9 mt -95.57 137.21 22.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.16 134.37 43.58 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.906 2.404 . . . . 0.0 112.285 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.12 -38.72 73.85 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.96 -173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -64.21 -15.73 60.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.322 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.35 -0.11 11.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -69.01 -40.84 78.43 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -63.23 -37.96 89.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.367 0.603 . . . . 0.0 110.115 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.12 -42.84 59.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.832 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.95 -43.57 82.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.613 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 66.1 tttm -56.2 -44.35 79.36 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.591 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.28 -44.3 83.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.473 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 22.7 ttm-85 -66.67 -46.54 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.212 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.7 mt -56.15 -49.14 77.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 111.178 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 3' ' ' LEU . 55.8 mt-10 -71.23 -26.02 62.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.98 -38.21 72.75 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.758 0.313 . . . . 0.0 110.411 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 70.4 mt -62.14 -42.58 99.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 110.318 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -67.56 -43.15 81.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.048 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ARG . 27.5 mmt180 -67.36 -19.69 65.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -68.22 -40.42 82.11 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.91 -9.97 59.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.291 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 63.16 35.1 13.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.971 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 4.6 pt20 -104.76 146.56 28.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.687 177.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' HA ' HD22 ' A' ' 3' ' ' LEU . 7.2 m-20 -91.74 -6.93 51.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.016 0.436 . . . . 0.0 110.503 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -118.3 129.93 73.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.035 -176.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 32' ' ' ALA . 23.1 m -96.65 135.11 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.048 0.452 . . . . 0.0 110.332 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.465 ' OG1' HD13 ' A' ' 44' ' ' LEU . 4.6 p -96.34 157.26 35.82 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.643 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.91 -31.4 81.43 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 123.096 2.53 . . . . 0.0 112.912 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -70.31 -30.68 67.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.827 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.465 HD13 ' OG1' ' A' ' 41' ' ' THR . 9.0 mp -68.85 -39.68 79.76 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 175.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.5 t -62.66 -43.61 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.879 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.525 ' CD ' HH21 ' A' ' 49' ' ' ARG . 10.5 tp10 -60.92 -47.61 85.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.236 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -57.14 -38.61 73.76 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.708 -178.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.72 97.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.219 0.533 . . . . 0.0 110.379 176.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HD3' HG12 ' A' ' 16' ' ' ILE . 38.7 ttp180 -73.43 -26.18 60.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.175 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -65.78 -45.83 80.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.417 176.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 34.9 mm-40 -54.84 -55.27 32.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.354 177.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 178.891 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.435 HD11 ' HG3' ' A' ' 33' ' ' ARG . 48.6 mt . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.21 113.0 21.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.322 0.582 . . . . 0.0 110.51 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.68 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 43.6 m95 -94.05 123.84 37.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.977 -178.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.0 p -69.13 159.29 33.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.104 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -35.99 71.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.137 0.494 . . . . 0.0 111.058 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -71.26 -42.63 68.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.13 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.49 89.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.327 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 58.8 mtpt -59.66 -38.67 82.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.0 m -65.3 -42.93 92.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -66.01 -33.47 75.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.723 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 16' ' ' ILE . 34.8 tp -64.09 -34.58 78.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.259 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 96.5 mttt -66.95 -21.12 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.102 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -77.86 -11.98 59.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.081 0.467 . . . . 0.0 110.456 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.523 HD12 HD12 ' A' ' 13' ' ' LEU . 27.7 mt -89.9 133.34 34.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.213 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.26 137.03 14.48 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.145 2.564 . . . . 0.0 112.331 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -51.84 -47.99 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -70.5 -28.5 65.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 111.84 -174.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.08 -7.16 33.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.885 0.374 . . . . 0.0 110.97 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 38.3 ttm180 -65.18 -42.15 93.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.284 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.6 t -64.93 -36.38 84.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.268 0.556 . . . . 0.0 110.021 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.4 -44.05 63.05 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.436 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -63.82 -42.12 97.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.291 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 60.7 tttm -52.99 -44.17 67.01 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 123.318 0.386 . . . . 0.0 110.841 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 30' ' ' GLN . . . -56.7 -46.94 80.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.448 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.561 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 45.7 mtp85 -67.72 -42.86 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.918 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.597 HD13 HG13 ' A' ' 45' ' ' VAL . 74.8 mt -56.64 -47.21 82.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.063 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 87.4 mt-10 -66.03 -37.61 86.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.715 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 79.7 mt-30 -62.17 -35.37 78.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.463 176.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 95.3 mt -64.52 -38.76 92.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.585 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.18 68.26 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.027 0.442 . . . . 0.0 110.602 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 83.0 mtt180 -63.5 -32.34 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.707 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -65.52 -36.66 84.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.19 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.11 -5.41 58.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.04 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 70.45 43.44 0.8 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.526 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -137.91 155.37 49.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.005 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.4 -2.08 55.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.064 0.459 . . . . 0.0 110.623 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -110.76 132.0 60.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.412 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 5' ' ' TRP . 21.3 m -97.45 138.15 23.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.319 0.581 . . . . 0.0 110.045 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 p -103.3 156.49 35.35 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.457 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.42 -37.29 97.41 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.268 2.645 . . . . 0.0 114.295 -172.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -77.07 -24.87 51.86 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.663 -175.489 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.99 -36.99 78.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.22 0.534 . . . . 0.0 109.715 172.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.597 HG13 HD13 ' A' ' 28' ' ' ILE . 91.1 t -61.18 -51.04 77.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.942 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.57 -22.79 58.81 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.533 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -63.03 -41.64 99.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.93 73.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.027 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.4 ttt-85 -71.48 -28.74 64.14 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -42.31 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.417 177.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 47' ' ' GLN . 37.7 mt-10 -58.18 -50.87 72.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.886 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.675 179.237 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.818 0.342 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.507 ' HD3' HG12 ' A' ' 39' ' ' ILE . 38.3 ttt85 -77.62 116.23 18.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.964 0.411 . . . . 0.0 110.539 178.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.691 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.7 m95 -96.41 129.7 43.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.664 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 40.1 p -73.88 156.7 37.42 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.503 175.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -60.5 -31.96 70.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.119 0.485 . . . . 0.0 110.711 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -68.14 -44.23 76.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.968 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.97 99.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.913 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 6' ' ' THR . 97.0 mttt -55.02 -47.19 75.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 110.602 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -63.0 -38.7 92.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.875 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.31 -38.52 87.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.932 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.87 -37.43 86.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.252 0.549 . . . . 0.0 110.07 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -70.27 -20.11 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.33 175.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -77.74 -17.97 57.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.824 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.594 HG12 ' HG3' ' A' ' 49' ' ' ARG . 47.3 mt -86.97 136.51 34.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.662 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.91 136.06 65.17 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.533 2.155 . . . . 0.0 111.546 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.537 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 63.3 t80 -51.04 -35.02 32.15 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.781 0.432 . . . . 0.0 111.674 -178.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -57.43 -31.1 65.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.629 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.13 5.87 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.537 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 6.0 mtm180 -64.24 -49.14 73.08 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.251 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 m -61.96 -43.84 98.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.42 . . . . 0.0 110.665 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 6.1 tp-100 -61.48 -49.4 76.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.431 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -61.77 -47.71 83.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.737 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.691 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 66.0 tttm -51.97 -44.85 64.19 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.474 0.484 . . . . 0.0 110.964 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.77 91.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.995 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.568 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 43.0 ttt180 -75.86 -35.9 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.003 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 24' ' ' ALA . 94.0 mt -59.21 -53.17 51.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.12 0.486 . . . . 0.0 110.779 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 49.3 mt-10 -69.79 -24.11 63.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.298 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -69.66 -40.83 76.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.954 0.407 . . . . 0.0 110.029 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 81.3 mt -64.85 -33.11 75.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.486 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.484 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.72 -36.8 83.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.16 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 36.7 mmt180 -66.02 -36.63 83.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.245 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -61.3 -40.76 95.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.516 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.25 -12.0 59.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.448 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 67.48 37.2 3.51 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.247 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -126.08 146.69 49.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.665 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.9 15.62 16.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.217 0.532 . . . . 0.0 110.64 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.507 HG12 ' HD3' ' A' ' 4' ' ' ARG . 66.5 mt -126.94 135.5 63.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.536 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 5' ' ' TRP . 20.2 m -103.25 138.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.239 0.542 . . . . 0.0 110.679 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 34.8 p -97.07 159.25 31.82 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.229 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.4 Cg_endo -60.41 -32.06 93.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.407 2.072 . . . . 0.0 112.007 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.09 -25.77 58.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.89 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.44 -41.66 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.117 0.484 . . . . 0.0 109.827 172.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.467 HG22 HD13 ' A' ' 28' ' ' ILE . 40.1 t -63.77 -42.6 96.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.648 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.522 ' CD ' HH12 ' A' ' 49' ' ' ARG . 51.8 tp10 -55.07 -57.28 12.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.966 174.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 58.4 tp60 -55.03 -47.17 75.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.347 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.3 82.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.673 0.273 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.594 ' HG3' HG12 ' A' ' 16' ' ' ILE . 1.1 tmm_? -76.57 -23.85 53.54 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -41.01 62.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.472 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 78.2 mm-40 -53.07 -54.42 35.81 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.776 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 23' ' ' GLN . 70.0 m-85 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.739 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.5 mt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.5 ' HD2' HG12 ' A' ' 39' ' ' ILE . 71.9 mtt180 -84.37 117.25 23.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.031 0.443 . . . . 0.0 109.842 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.564 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 47.7 m95 -99.6 125.26 45.38 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.888 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.8 p -71.85 157.96 36.93 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -57.95 -41.5 82.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.452 0.644 . . . . 0.0 109.956 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -60.93 -44.06 97.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.62 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.42 90.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.274 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 55.8 mtpt -57.65 -43.16 84.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.057 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.8 m -67.37 -39.37 85.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -63.65 -39.5 94.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.028 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.602 HD12 HD12 ' A' ' 16' ' ' ILE . 46.1 tp -60.52 -36.22 77.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.117 0.484 . . . . 0.0 110.495 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 97.5 mttt -69.22 -15.01 63.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.468 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -92.87 3.17 56.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.021 0.439 . . . . 0.0 110.83 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.602 HD12 HD12 ' A' ' 13' ' ' LEU . 56.8 mt -95.95 133.27 25.56 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.776 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -52.69 134.96 55.52 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.818 2.345 . . . . 0.0 111.676 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -53.18 -44.99 68.32 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -171.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -58.05 -27.62 63.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.51 9.22 13.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.975 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -72.72 -50.38 25.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.864 0.364 . . . . 0.0 110.698 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 m -66.55 -27.73 67.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.103 0.478 . . . . 0.0 110.157 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.457 ' HA ' HE21 ' A' ' 23' ' ' GLN . 0.1 OUTLIER -72.96 -46.5 52.04 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.763 177.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.584 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -60.18 -43.16 96.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.224 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 63.7 tttm -51.3 -48.17 62.38 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.444 0.465 . . . . 0.0 110.985 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.8 -36.9 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.612 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 15.8 ttm180 -76.9 -38.03 54.32 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.869 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 24' ' ' ALA . 86.6 mt -58.34 -52.87 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.051 0.453 . . . . 0.0 110.699 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.02 -28.64 67.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.403 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -65.11 -44.16 89.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.229 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 83.8 mt -65.26 -31.91 73.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.779 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.517 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.41 -36.26 82.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.745 176.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -62.75 -37.48 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.308 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -71.49 -32.34 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.366 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.5 -4.61 54.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.98 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 64.78 35.29 8.79 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.908 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -133.92 143.52 48.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -86.5 -9.2 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.494 0.664 . . . . 0.0 109.971 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.5 HG12 ' HD2' ' A' ' 4' ' ' ARG . 45.6 mt -110.03 132.94 56.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.682 -177.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 32' ' ' ALA . 14.3 m -98.61 135.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.363 0.601 . . . . 0.0 110.457 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.508 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 24.9 p -99.27 161.24 25.32 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.018 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 17.9 Cg_endo -59.08 -23.18 67.7 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.555 2.17 . . . . 0.0 111.961 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.09 -42.4 80.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.273 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.427 HD13 ' OG1' ' A' ' 41' ' ' THR . 10.8 mp -66.58 -39.38 88.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.144 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.488 HG22 HD13 ' A' ' 28' ' ' ILE . 47.0 t -61.99 -45.1 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.199 0.523 . . . . 0.0 110.165 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.73 -53.64 56.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.084 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -52.91 -47.56 67.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.567 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -63.71 -34.54 78.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.625 0.25 . . . . 0.0 111.203 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.574 ' HD3' HG12 ' A' ' 16' ' ' ILE . 40.2 ttp180 -69.33 -39.71 78.02 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.888 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.433 ' HA ' HD13 ' A' ' 50' ' ' LEU . 3.1 mm? -73.27 -27.1 61.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.09 178.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 64.3 mm-40 -54.32 -53.21 56.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.725 -177.57 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -88.15 131.4 34.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.917 0.389 . . . . 0.0 110.333 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.643 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -109.18 131.1 55.39 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -175.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 p -71.58 159.34 34.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.953 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.3 m -56.14 -41.06 74.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.28 0.562 . . . . 0.0 110.32 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 3.2 mp0 -65.38 -45.44 84.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.65 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.0 90.95 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 64.9 mttm -55.71 -48.39 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m -60.7 -44.51 96.47 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HG3' ' CB ' ' A' ' 42' ' ' PRO . 1.5 mmmm -66.56 -32.96 74.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.421 -178.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 16' ' ' ILE . 59.3 tp -64.65 -35.42 80.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.998 0.427 . . . . 0.0 110.249 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 94.7 mttt -70.18 -16.38 63.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.48 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -82.25 -15.59 52.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.198 0.523 . . . . 0.0 110.25 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.577 HG12 ' HG3' ' A' ' 49' ' ' ARG . 59.2 mt -81.53 134.4 51.22 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.69 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.34 130.1 36.82 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.486 2.124 . . . . 0.0 111.523 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.53 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 92.1 t80 -52.23 -38.24 57.5 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.326 0.391 . . . . 0.0 111.996 -175.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -57.65 -27.73 63.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 111.24 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.57 8.19 11.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.382 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 8.7 mtm180 -66.06 -46.33 78.17 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.433 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -61.75 -41.02 97.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.204 0.526 . . . . 0.0 110.36 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -66.65 -48.29 69.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.703 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.6 -48.02 81.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.643 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 52.6 tttm -55.58 -39.64 70.96 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.468 0.48 . . . . 0.0 110.896 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.13 80.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.474 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 15.3 ttm180 -73.29 -39.75 65.09 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.133 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 24' ' ' ALA . 85.3 mt -54.3 -48.51 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.997 0.427 . . . . 0.0 111.091 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 60.3 mt-10 -71.8 -29.73 64.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.863 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -68.88 -37.66 79.17 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.828 0.347 . . . . 0.0 110.856 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 84.1 mt -62.29 -37.96 87.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 110.1 177.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -67.22 -32.83 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.725 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 5.2 mmp_? -66.6 -33.71 76.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.069 0.462 . . . . 0.0 109.881 174.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -35.1 79.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.682 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.77 -8.14 56.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.958 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 65.11 29.17 12.11 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.156 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -110.38 143.36 40.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -88.32 -9.69 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.232 0.539 . . . . 0.0 110.067 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.8 mt -112.35 126.6 69.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.098 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 5' ' ' TRP . 19.6 m -93.47 142.79 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.163 0.506 . . . . 0.0 110.759 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.465 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 29.1 p -104.51 159.81 28.1 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.977 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.546 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 21.4 Cg_endo -59.14 -22.98 67.04 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.835 2.356 . . . . 0.0 112.196 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -64.04 -51.8 62.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.173 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.41 -35.07 79.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.665 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.32 -52.24 63.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.108 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.57 -33.29 62.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.461 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 25.4 tp60 -53.69 -50.59 65.53 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.609 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.06 -31.53 72.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.048 0.451 . . . . 0.0 110.626 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.577 ' HG3' HG12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.07 -38.31 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.682 -178.106 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -40.25 78.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.945 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 47' ' ' GLN . 50.0 mt-10 -56.82 -48.65 77.53 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.435 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 45.1 m-85 . . . . . 0 C--N 1.328 -0.36 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.149 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.7 mt . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.834 0.35 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.416 ' HD3' HG12 ' A' ' 39' ' ' ILE . 37.5 ttt180 -81.82 107.74 14.79 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 48.1 m95 -90.09 124.03 34.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p -70.24 161.29 30.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.766 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.5 t -61.14 -36.99 81.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.066 0.46 . . . . 0.0 109.931 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -65.62 -44.32 86.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.27 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.27 -45.63 93.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.834 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -58.03 -41.08 82.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.618 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -63.88 -48.5 76.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.683 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -64.29 -35.7 81.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.662 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.53 -32.23 73.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 110.154 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -76.34 -4.39 41.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.238 177.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.53 -8.38 50.47 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.299 0.571 . . . . 0.0 109.603 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.6 mt -97.25 124.89 47.62 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.156 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -52.12 133.56 47.3 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.847 2.365 . . . . 0.0 111.82 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.463 ' HA ' ' HB3' ' A' ' 21' ' ' ARG . 53.1 p90 -57.43 -27.0 62.02 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.88 -35.25 76.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.959 0.409 . . . . 0.0 110.991 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.18 -5.94 13.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.019 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' HB3' ' HA ' ' A' ' 18' ' ' PHE . 59.4 ttt180 -64.12 -37.07 86.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.41 -176.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.8 p -63.97 -44.55 92.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.198 0.523 . . . . 0.0 110.252 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.15 -43.69 86.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.274 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.525 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -64.28 -43.05 96.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.282 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 63.5 tttm -56.13 -43.99 78.75 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.175 0.297 . . . . 0.0 110.672 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.94 86.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.599 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.57 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 19.4 tpt180 -70.08 -45.5 66.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.854 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.0 mt -56.17 -51.56 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 111.035 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.678 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 56.6 mt-10 -67.77 -32.35 72.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.497 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -65.18 -42.09 94.0 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.984 0.421 . . . . 0.0 110.029 175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 80.6 mt -60.62 -38.67 85.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.28 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -65.75 -40.57 92.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.607 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.678 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 87.4 mtt-85 -60.5 -40.69 92.29 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -65.38 -39.56 92.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.172 179.198 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.24 -6.73 54.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.049 0.452 . . . . 0.0 110.729 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.27 24.87 10.6 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.768 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -110.22 140.06 44.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.611 175.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.64 0.01 57.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.244 0.545 . . . . 0.0 110.215 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.416 HG12 ' HD3' ' A' ' 4' ' ' ARG . 41.8 mt -113.04 133.35 59.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.211 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 5' ' ' TRP . 20.1 m -98.29 134.64 36.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.359 0.6 . . . . 0.0 110.339 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -100.87 155.36 36.41 Favored Pre-proline 0 C--N 1.313 -0.979 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.213 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.12 -30.98 94.61 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.928 2.418 . . . . 0.0 113.65 -173.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -24.09 51.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.603 0.239 . . . . 0.0 111.358 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.29 -37.86 68.9 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.076 0.465 . . . . 0.0 109.751 171.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.483 HG22 HG21 ' A' ' 28' ' ' ILE . 80.8 t -61.29 -45.4 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.09 175.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -71.2 -35.9 71.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.396 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.562 HE21 ' C ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -54.62 -51.35 65.65 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.661 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.28 70.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.05 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -66.6 -40.99 89.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.571 0.7 . . . . 0.0 109.375 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -29.53 62.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.725 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 44.0 mm-40 -54.99 -51.89 64.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.137 174.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.182 -177.512 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.537 HD11 ' HG3' ' A' ' 33' ' ' ARG . 33.6 mt . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.029 0.442 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 39' ' ' ILE . 53.0 mtt180 -92.47 120.16 32.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.838 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.55 ' HA ' HG22 ' A' ' 40' ' ' VAL . 32.7 m95 -103.1 135.31 45.0 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.847 -173.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.1 p -73.74 155.89 38.43 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -57.85 -38.07 75.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.102 0.477 . . . . 0.0 110.849 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 42' ' ' PRO . 44.4 mt-10 -72.29 -33.68 67.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.894 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -39.28 83.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 110.446 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 6' ' ' THR . 65.0 mttm -59.92 -44.79 94.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.791 175.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.0 m -61.34 -45.69 93.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.729 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -64.33 -38.51 91.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.399 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.74 -44.73 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.994 0.426 . . . . 0.0 110.256 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -69.46 -12.46 61.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.193 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -79.64 -20.49 46.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.386 0.613 . . . . 0.0 109.552 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.552 HG12 ' HD3' ' A' ' 49' ' ' ARG . 55.3 mt -86.0 133.76 40.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.062 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.6 134.47 53.2 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.057 2.505 . . . . 0.0 112.14 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -47.65 -42.43 24.47 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.594 0.559 . . . . 0.0 112.29 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.28 -33.39 67.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.567 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.12 -0.41 15.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.732 0.301 . . . . 0.0 111.152 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -69.72 -46.18 66.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.989 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -63.81 -37.47 87.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.16 0.505 . . . . 0.0 110.269 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -67.9 -46.71 70.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.616 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.564 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -63.76 -42.59 97.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.349 176.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 47.6 tttm -55.76 -42.39 75.4 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.258 0.349 . . . . 0.0 110.823 177.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.89 79.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.546 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 16.3 mtp180 -75.65 -34.28 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.606 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.4 mt -62.78 -52.03 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.972 0.415 . . . . 0.0 110.634 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.44 -25.87 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.622 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.469 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 34.6 tt0 -64.58 -48.2 75.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.221 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 75.6 mt -60.51 -38.73 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.273 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -75.34 -38.26 60.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.467 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HG3' HD11 ' A' ' 3' ' ' LEU . 58.5 mtm180 -71.9 -19.69 61.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.038 0.447 . . . . 0.0 110.145 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -74.5 -32.53 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.459 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.52 -6.73 58.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.267 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 63.55 52.6 2.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.184 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.55 170.28 16.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.117 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 8.6 m-20 -96.55 -28.59 14.31 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 -176.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 51.1 mt -102.01 138.99 24.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.267 -171.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 5' ' ' TRP . 12.0 m -106.66 141.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.23 0.538 . . . . 0.0 110.079 176.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.3 p -104.24 155.95 36.48 Favored Pre-proline 0 C--N 1.317 -0.809 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.374 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HG3' ' HB2' ' A' ' 8' ' ' GLU . 53.4 Cg_exo -51.19 -30.96 34.49 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.844 2.363 . . . . 0.0 112.93 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -61.5 -43.02 99.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.06 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.67 -35.04 78.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.74 0.305 . . . . 0.0 110.785 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.456 HG22 HD13 ' A' ' 28' ' ' ILE . 57.4 t -64.47 -45.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.211 0.529 . . . . 0.0 109.734 175.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.437 ' CD ' HH21 ' A' ' 49' ' ' ARG . 8.4 tp10 -59.91 -45.16 93.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.999 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.427 ' CA ' HE21 ' A' ' 47' ' ' GLN . 0.0 OUTLIER -55.05 -41.07 70.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.774 179.225 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.25 90.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.552 ' HD3' HG12 ' A' ' 16' ' ' ILE . 50.6 ttp180 -74.5 -33.32 62.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -45.45 94.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.79 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.67 -46.46 84.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.115 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 111.198 -179.591 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.441 ' O ' ' HD1' ' A' ' 5' ' ' TRP . 52.3 mt . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.916 0.388 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -81.26 108.35 14.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.407 0.623 . . . . 0.0 109.942 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.524 ' HA ' HG22 ' A' ' 40' ' ' VAL . 37.1 m95 -99.64 129.71 45.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.087 -178.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 p -78.29 158.84 28.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 t -60.12 -35.92 76.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.949 0.404 . . . . 0.0 110.021 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.541 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 2.2 mp0 -61.97 -46.33 89.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.708 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -63.69 -47.07 82.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.128 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 60.6 mtpt -57.78 -39.01 76.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.071 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.3 m -66.87 -40.54 87.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.402 . . . . 0.0 110.636 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -62.8 -39.42 94.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.682 177.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.56 HD12 HD12 ' A' ' 16' ' ' ILE . 47.1 tp -63.01 -36.9 85.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.761 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 63.2 mttm -65.66 -26.96 68.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.961 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -82.29 -7.4 59.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.065 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.56 HD12 HD12 ' A' ' 13' ' ' LEU . 58.6 mt -84.14 132.28 48.41 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.755 174.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.24 148.23 71.63 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.876 2.384 . . . . 0.0 112.458 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -55.5 -34.36 64.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.593 -177.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -63.79 -19.53 65.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.69 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.35 8.68 8.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.659 0.266 . . . . 0.0 111.116 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -59.63 -46.93 87.52 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.5 t -77.51 -41.04 40.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.852 0.358 . . . . 0.0 110.079 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -59.76 -45.06 93.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.75 -45.81 73.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.3 tttm -55.97 -46.68 78.57 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.744 0.307 . . . . 0.0 110.541 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.5 88.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.718 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.596 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 20.0 tpt180 -64.7 -51.6 61.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.711 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.502 HG21 HG22 ' A' ' 45' ' ' VAL . 62.6 mt -56.24 -51.75 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.611 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 49.9 mt-10 -65.19 -32.28 73.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.876 -176.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 48.2 mt-30 -72.49 -35.47 68.18 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.667 174.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 96.3 mt -61.74 -31.77 71.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 110.343 175.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -68.62 -40.38 80.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.501 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 21.4 mtp-105 -64.4 -36.6 84.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.124 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 22.0 mt-30 -67.15 -26.51 66.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.105 0.479 . . . . 0.0 110.154 174.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.55 -1.35 57.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.131 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 71.2 23.73 4.01 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.617 0.573 . . . . 0.0 111.693 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -127.11 152.09 47.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.566 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -99.6 1.39 43.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.179 0.514 . . . . 0.0 110.021 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -108.57 131.61 58.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.496 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 5' ' ' TRP . 17.0 m -98.03 132.45 42.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.266 0.555 . . . . 0.0 109.713 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.4 p -94.18 159.63 33.76 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.694 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.86 -25.55 69.9 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.094 1.862 . . . . 0.0 110.911 175.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.75 -54.65 44.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.287 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.4 -42.72 99.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.258 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.502 HG22 HG21 ' A' ' 28' ' ' ILE . 56.7 t -60.8 -47.68 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.84 -33.87 66.44 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.177 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -48.09 81.67 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.11 72.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.449 0.642 . . . . 0.0 110.321 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -75.06 -25.57 58.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.285 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 -48.67 12.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.518 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -64.85 -35.45 81.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.676 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.417 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 22.0 m-30 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.989 0.424 . . . . 0.0 109.927 175.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.574 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 90.1 mt . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.747 0.308 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.813 HH21 ' HB3' ' A' ' 38' ' ' ASP . 85.0 mtm180 -81.94 116.6 21.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.502 0.668 . . . . 0.0 111.134 178.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.576 ' HA ' HG22 ' A' ' 40' ' ' VAL . 41.6 m95 -98.48 127.59 44.47 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.524 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.0 p -68.03 157.69 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.979 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -57.14 -37.6 72.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.904 0.383 . . . . 0.0 110.99 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.45 -41.33 76.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.703 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.48 96.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.782 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HE2' ' O ' ' A' ' 5' ' ' TRP . 68.8 mttm -59.25 -45.9 89.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.806 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 m -64.75 -44.92 88.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -63.04 -35.56 80.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.591 HD12 HD12 ' A' ' 16' ' ' ILE . 53.4 tp -63.95 -38.27 90.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.721 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -64.93 -23.83 67.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -71.28 -24.23 62.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.16 0.505 . . . . 0.0 110.812 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.591 HD12 HD12 ' A' ' 13' ' ' LEU . 59.3 mt -75.89 130.42 78.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.084 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.11 133.84 42.09 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.878 2.385 . . . . 0.0 112.236 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -50.5 -38.34 43.66 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.457 0.473 . . . . 0.0 111.817 -176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -57.46 -27.78 62.78 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.493 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.82 -15.65 10.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -176.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -58.24 -46.64 85.58 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -174.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 m -60.31 -44.63 95.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.3 0.571 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -69.35 -36.95 77.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.809 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.57 -38.59 84.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.53 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.8 tttm -56.56 -49.14 75.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 0.0 110.275 177.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.7 69.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.931 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -73.11 -47.92 40.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.441 177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.544 ' HA ' HD12 ' A' ' 31' ' ' LEU . 83.4 mt -59.93 -47.35 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.6 -28.37 65.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.769 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -70.98 -35.17 72.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.011 0.434 . . . . 0.0 109.882 173.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 28' ' ' ILE . 69.0 mt -63.46 -39.64 95.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.101 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.33 -40.23 89.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.508 175.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -57.2 -42.59 81.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.922 0.391 . . . . 0.0 110.789 174.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.77 -38.58 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.556 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.47 -11.63 60.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.601 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 69.17 31.42 4.01 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.456 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -126.37 162.12 26.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.668 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.813 ' HB3' HH21 ' A' ' 4' ' ' ARG . 9.9 t70 -101.78 -26.73 13.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.424 0.63 . . . . 0.0 110.161 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.41 120.73 39.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.477 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 5' ' ' TRP . 16.6 m -93.94 136.52 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.434 0.635 . . . . 0.0 110.767 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.7 p -98.71 159.7 29.74 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.596 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.57 -21.46 62.35 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.283 1.988 . . . . 0.0 111.49 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.56 -50.65 73.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.509 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.91 -35.32 79.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.625 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.452 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 97.0 t -58.77 -54.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.919 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.38 -38.74 92.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.085 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -52.52 62.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.598 -178.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.05 73.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.027 0.441 . . . . 0.0 110.648 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -67.29 -34.86 78.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -65.06 -45.38 85.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.053 178.163 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.98 -48.58 81.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.042 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 63.0 m-85 . . . . . 0 C--O 1.236 0.376 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.026 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 N--CA 1.449 -0.477 0 CA-C-O 120.793 0.33 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.463 ' HB2' HG12 ' A' ' 39' ' ' ILE . 47.4 mtt180 -82.85 115.96 21.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.234 0.54 . . . . 0.0 110.482 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.493 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 43.3 m95 -98.19 129.39 44.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.967 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 54.5 p -75.98 165.24 25.25 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.2 m -58.26 -41.09 83.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.54 -37.61 74.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.813 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.37 98.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.713 0.292 . . . . 0.0 110.877 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HE2' ' O ' ' A' ' 5' ' ' TRP . 64.0 mttm -57.17 -45.25 83.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.353 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -64.76 -43.03 94.62 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.16 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -61.05 -41.87 97.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.279 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD12 HD12 ' A' ' 16' ' ' ILE . 49.3 tp -61.49 -38.27 86.7 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.89 0.376 . . . . 0.0 110.407 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -73.74 -8.3 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.743 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -90.33 -10.96 42.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.143 0.496 . . . . 0.0 110.523 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.47 HD12 HD12 ' A' ' 13' ' ' LEU . 63.4 mt -83.77 132.53 48.59 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.805 177.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.32 135.67 54.11 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.739 2.293 . . . . 0.0 112.069 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -50.24 -39.47 44.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.971 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -61.45 -24.41 66.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.74 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.17 2.11 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -68.54 -45.41 72.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.593 0.235 . . . . 0.0 111.21 -174.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -62.11 -39.52 92.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.296 0.569 . . . . 0.0 110.145 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -67.35 -46.7 72.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.166 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.578 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.49 -44.11 97.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HA ' HD12 ' A' ' 28' ' ' ILE . 43.1 tttp -54.62 -43.32 72.15 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.248 0.342 . . . . 0.0 111.082 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.75 89.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.612 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.52 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 13.1 tpt180 -70.4 -41.02 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.655 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 24' ' ' ALA . 80.8 mt -56.91 -52.85 50.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.034 0.445 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.53 -22.88 63.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.512 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -70.59 -45.42 65.38 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 72.8 mt -59.46 -39.42 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.759 179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.957 0.408 . . . . 0.0 110.804 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -65.84 -26.68 67.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.29 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -68.12 -35.66 78.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.981 0.42 . . . . 0.0 110.003 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.34 -5.53 59.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.75 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 68.72 32.98 3.93 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.924 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -121.37 144.41 48.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.777 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.66 12.37 32.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.019 0.438 . . . . 0.0 110.094 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.463 HG12 ' HB2' ' A' ' 4' ' ' ARG . 63.7 mt -122.2 135.25 62.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.434 178.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 5' ' ' TRP . 11.9 m -106.47 142.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.334 0.588 . . . . 0.0 110.358 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 37.8 p -107.34 162.65 19.03 Favored Pre-proline 0 C--N 1.315 -0.904 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.572 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.3 Cg_endo -59.31 -24.26 73.54 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.185 1.923 . . . . 0.0 111.392 176.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.89 -49.08 77.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.843 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.21 -39.31 78.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.67 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 28' ' ' ILE . 44.5 t -58.85 -46.18 91.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.178 177.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -58.47 -53.11 62.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.215 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 10.1 mm100 -55.92 -43.95 77.84 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.41 -179.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.28 88.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.836 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -67.31 -38.61 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -33.63 74.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 13.1 mm-40 -59.4 -46.59 88.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.056 0.455 . . . . 0.0 110.331 175.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 82.7 m-85 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.62 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.69 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 65.1 mt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.444 0.164 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -77.14 105.04 7.98 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.257 0.551 . . . . 0.0 110.532 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.597 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 52.5 m95 -86.09 124.97 33.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.296 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.5 p -71.31 155.74 40.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.8 m -56.45 -37.62 70.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.959 0.409 . . . . 0.0 111.038 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.16 -37.63 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.61 88.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.326 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -58.91 -42.72 90.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.908 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.6 m -66.97 -35.91 81.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.104 0.478 . . . . 0.0 110.73 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -71.68 -37.35 70.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.32 -41.74 98.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.887 0.375 . . . . 0.0 110.094 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.83 -14.33 61.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.97 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -76.91 -25.52 53.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.402 HG12 ' HD3' ' A' ' 49' ' ' ARG . 66.4 mt -80.38 134.38 55.15 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.814 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -50.78 137.29 42.71 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.056 2.504 . . . . 0.0 112.22 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -57.83 -25.26 60.39 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.96 0.409 . . . . 0.0 111.101 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -64.4 -30.39 71.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.191 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.95 7.39 9.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -71.58 -44.69 64.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.495 -174.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -67.4 -37.01 82.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.024 0.44 . . . . 0.0 109.848 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 6.1 tp-100 -62.26 -46.35 89.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.043 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.52 -42.7 99.69 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.845 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.597 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.9 tttm -53.92 -45.51 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.877 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.41 89.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.867 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 11.2 mmt85 -67.6 -49.59 62.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.495 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.492 ' HA ' HD12 ' A' ' 31' ' ' LEU . 71.0 mt -57.92 -47.12 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.544 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -70.95 -25.08 62.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.81 -44.43 73.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 59.0 mt -59.31 -42.86 92.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.784 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.5 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -67.32 -41.6 85.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.36 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -68.11 -25.39 65.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.995 0.426 . . . . 0.0 110.572 176.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.49 -34.98 68.06 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.2 -3.65 55.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.048 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 70.13 25.98 4.57 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.125 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -121.52 161.21 22.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.326 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.69 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 18.8 t70 -106.08 -14.41 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.265 0.555 . . . . 0.0 110.183 -178.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.4 mt -98.66 123.93 51.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.478 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 5' ' ' TRP . 13.3 m -97.72 135.54 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.175 0.512 . . . . 0.0 110.318 177.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.2 p -101.96 157.85 32.89 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.524 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.27 -27.9 77.23 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.578 2.185 . . . . 0.0 112.805 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.8 -44.0 97.42 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 120.583 0.23 . . . . 0.0 110.704 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.47 -36.2 80.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.802 0.334 . . . . 0.0 110.703 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.438 HG22 HD13 ' A' ' 28' ' ' ILE . 48.4 t -65.29 -45.36 93.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.238 0.542 . . . . 0.0 110.089 176.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -43.57 98.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.112 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -54.36 -49.42 69.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.365 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -61.71 -35.59 78.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.047 0.451 . . . . 0.0 110.748 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.402 ' HD3' HG12 ' A' ' 16' ' ' ILE . 28.0 tpt85 -69.62 -36.49 76.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.003 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.49 -32.8 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.527 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 47.6 mm-40 -56.04 -47.38 77.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.18 0.514 . . . . 0.0 109.719 171.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.944 -179.116 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.9 mt . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -87.46 120.13 28.45 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.404 0.621 . . . . 0.0 110.764 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.644 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -102.36 130.28 49.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.092 -175.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 35.4 p -70.19 157.47 37.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.564 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 22.7 t -59.13 -31.35 68.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.232 0.539 . . . . 0.0 110.097 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -70.06 -44.97 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.816 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.25 96.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.091 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 6' ' ' THR . 63.3 mttm -55.9 -51.6 67.03 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.024 0.44 . . . . 0.0 110.311 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 m -64.12 -39.46 94.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.057 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -62.56 -39.59 94.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.342 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.608 HD12 HD12 ' A' ' 16' ' ' ILE . 55.8 tp -61.94 -37.13 83.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 91.3 mttt -68.94 -16.14 63.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.39 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -76.13 -27.05 56.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.156 0.503 . . . . 0.0 110.206 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.608 HD12 HD12 ' A' ' 13' ' ' LEU . 55.1 mt -72.77 130.07 85.89 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.643 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.89 138.87 69.73 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.949 2.433 . . . . 0.0 112.334 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -56.58 -25.27 52.0 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.322 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -63.19 -26.72 68.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.256 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 12.01 4.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.72 -175.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -69.99 -49.15 54.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -172.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -68.95 -31.14 69.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -68.46 -45.5 72.29 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.524 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -64.83 -42.98 94.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.6 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.644 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 88.3 tttt -53.94 -43.34 69.73 Favored 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.269 0.356 . . . . 0.0 110.579 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.0 93.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.165 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 24.6 ttm180 -70.12 -37.79 75.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 24' ' ' ALA . 82.4 mt -59.93 -49.88 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.792 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 50.3 mt-10 -67.68 -29.25 68.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.038 0.447 . . . . 0.0 110.201 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.26 -45.44 84.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.276 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 71.7 mt -61.3 -37.42 83.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.494 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -68.09 -30.42 69.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 11.1 mmm180 -67.0 -38.24 85.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 0.0 110.055 175.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -72.67 -32.69 66.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.148 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.27 -14.09 60.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.084 175.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 61.5 57.64 2.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.707 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -148.81 158.26 44.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.412 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -98.91 -14.14 19.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.768 0.318 . . . . 0.0 110.4 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.6 mt -108.63 124.87 65.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.223 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 5' ' ' TRP . 19.4 m -93.45 137.68 22.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.421 0.629 . . . . 0.0 110.776 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.527 ' HB ' ' OE1' ' A' ' 43' ' ' GLU . 2.6 p -98.81 155.48 36.61 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.379 177.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.38 -31.54 77.82 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.822 2.348 . . . . 0.0 112.588 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.527 ' OE1' ' HB ' ' A' ' 41' ' ' THR . 5.1 mp0 -60.69 -40.93 94.01 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.07 -34.84 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 110.33 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 28' ' ' ILE . 62.1 t -63.98 -46.65 93.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.216 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.467 ' OE2' ' HD3' ' A' ' 49' ' ' ARG . 4.7 tp10 -64.21 -39.75 94.63 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.99 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.67 -52.58 55.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.812 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.4 74.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.978 0.418 . . . . 0.0 110.881 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD3' ' OE2' ' A' ' 46' ' ' GLU . 54.7 ttt180 -71.93 -36.22 69.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.216 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -42.16 95.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.436 176.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 42.5 mm-40 -52.49 -58.86 5.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.109 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.401 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 76.0 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.91 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.56 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 42.5 mt . . . . . 0 N--CA 1.45 -0.454 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -80.29 110.78 16.05 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.674 0.75 . . . . 0.0 111.177 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.581 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 51.0 m95 -95.69 122.22 38.23 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.905 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.9 p -69.18 155.31 40.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.594 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.0 p -57.88 -34.39 69.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.273 0.558 . . . . 0.0 110.538 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -70.58 -39.67 73.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.438 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.89 89.88 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.014 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 6' ' ' THR . 95.1 mttt -54.46 -45.3 73.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.565 175.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -62.49 -40.11 95.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.086 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -67.35 -39.47 85.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.064 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.64 HD12 HD12 ' A' ' 16' ' ' ILE . 29.9 tp -63.83 -32.11 73.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.144 0.497 . . . . 0.0 110.359 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -75.6 -6.87 52.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.344 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -88.69 -12.73 41.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.229 175.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.64 HD12 HD12 ' A' ' 13' ' ' LEU . 45.0 mt -88.64 133.85 35.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.815 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.92 129.57 33.65 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.643 2.229 . . . . 0.0 111.678 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -51.67 -31.79 27.11 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -63.9 -35.89 82.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.387 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.9 6.18 16.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.968 0.414 . . . . 0.0 110.758 -176.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.542 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 20.7 ttm180 -67.99 -47.21 69.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.453 ' HA ' ' HB3' ' A' ' 25' ' ' LYS . 26.3 m -69.37 -31.72 70.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.511 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.31 -50.05 71.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.913 175.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.5 -43.14 99.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.03 176.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 35.6 tttp -57.05 -41.01 77.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.561 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 30' ' ' GLN . . . -61.28 -38.94 88.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.919 0.39 . . . . 0.0 110.723 176.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.496 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 35.9 ttt85 -72.58 -40.47 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 177.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 24' ' ' ALA . 80.7 mt -57.5 -52.33 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 110.793 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 52.7 mt-10 -67.91 -25.06 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.63 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 26' ' ' ALA . 1.2 tp-100 -73.16 -41.2 64.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.211 176.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 39.7 mt -59.34 -43.69 92.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.311 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.25 -36.04 78.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.975 177.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.633 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 44.2 mtp180 -67.59 -32.95 74.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.939 177.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -69.64 -24.1 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.147 0.499 . . . . 0.0 109.992 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.22 -9.18 46.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.41 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 4.5 mm-40 62.13 44.67 7.68 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.354 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -132.95 148.83 52.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.645 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.56 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 14.2 t70 -88.75 -21.3 23.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.478 0.656 . . . . 0.0 109.434 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.5 mt -90.86 122.9 42.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.805 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 5' ' ' TRP . 19.7 m -97.09 135.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.403 0.621 . . . . 0.0 110.129 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.454 ' HB ' ' OE1' ' A' ' 43' ' ' GLU . 26.5 p -98.0 154.38 37.78 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.097 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.505 ' HG2' ' OE2' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -58.46 -26.19 76.97 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.59 2.193 . . . . 0.0 112.124 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.505 ' OE2' ' HG2' ' A' ' 42' ' ' PRO . 4.7 mp0 -59.38 -42.72 92.33 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.09 176.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -70.15 -38.96 75.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.73 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.404 HG13 HD13 ' A' ' 28' ' ' ILE . 51.4 t -61.35 -49.96 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 110.388 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.72 -43.31 96.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.287 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 60.5 tp60 -54.41 -50.28 67.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.43 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.423 ' HA ' ' CG ' ' A' ' 51' ' ' GLU . . . -62.8 -29.96 71.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.246 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -72.17 -30.93 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 50' ' ' LEU . 2.7 mm? -78.14 -32.37 50.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.605 176.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 9.7 mm-40 -52.85 -48.42 67.06 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 -179.305 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 48.9 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.551 ' HD3' HG12 ' A' ' 39' ' ' ILE . 21.0 ttt180 -73.76 96.6 2.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.544 0.688 . . . . 0.0 110.319 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.669 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 53.8 m95 -82.3 123.52 29.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.499 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 20.9 p -68.06 155.27 39.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 m -57.95 -36.21 72.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.925 0.393 . . . . 0.0 111.263 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -74.51 -36.64 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.115 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.81 -41.77 97.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.375 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 6' ' ' THR . 57.4 mtpt -58.44 -45.31 88.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.507 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.3 m -64.61 -42.15 95.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.563 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -60.88 -42.25 97.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.163 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.468 HD12 HD12 ' A' ' 16' ' ' ILE . 55.5 tp -60.5 -37.77 82.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.756 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -71.98 -8.2 53.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.332 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -95.66 2.31 54.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.091 0.472 . . . . 0.0 110.341 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.468 HD12 HD12 ' A' ' 13' ' ' LEU . 63.2 mt -96.34 132.16 27.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.592 173.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.77 141.3 28.21 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.212 2.608 . . . . 0.0 112.658 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -49.34 -47.59 47.19 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -57.81 -31.58 66.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.953 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.16 1.02 14.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.586 -176.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -66.85 -40.28 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 p -71.94 -40.89 68.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.737 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.37 -47.72 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.485 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.511 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.45 -42.91 99.8 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.693 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.669 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 59.8 tttm -52.25 -44.67 65.02 Favored 'General case' 0 C--O 1.231 0.082 0 O-C-N 123.235 0.334 . . . . 0.0 110.722 177.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 30' ' ' GLN . . . -60.32 -43.9 95.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.555 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.569 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 8.7 mmm180 -68.3 -39.49 82.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.608 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.523 HD13 HG22 ' A' ' 45' ' ' VAL . 87.2 mt -61.37 -47.17 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.202 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -67.68 -28.45 67.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.047 0.451 . . . . 0.0 110.557 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 15.9 mm100 -75.71 -34.57 60.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.571 175.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 98.0 mt -64.61 -34.58 78.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 174.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -67.14 -38.6 85.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.279 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.478 ' HA ' ' HD3' ' A' ' 33' ' ' ARG . 24.1 mmt180 -70.38 -25.35 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.846 176.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.84 -30.28 56.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.24 0.543 . . . . 0.0 109.604 174.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.22 -5.5 59.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.251 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 62.76 42.05 8.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.313 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -144.2 155.49 43.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.021 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 19.2 t70 -90.64 -23.19 20.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.409 0.623 . . . . 0.0 110.209 -177.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.551 HG12 ' HD3' ' A' ' 4' ' ' ARG . 37.5 mt -86.37 118.04 31.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.354 -177.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.654 HG22 ' HA ' ' A' ' 5' ' ' TRP . 3.8 m -92.7 138.79 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.9 p -104.67 161.84 21.61 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.213 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -58.73 -22.08 59.56 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.268 1.979 . . . . 0.0 111.664 175.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.42 -48.71 80.6 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.185 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.34 -40.94 81.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.906 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.523 HG22 HD13 ' A' ' 28' ' ' ILE . 31.6 t -63.16 -43.51 98.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.339 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -57.88 -52.99 63.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.357 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.593 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -53.19 -46.56 69.03 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.464 179.581 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.06 90.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.063 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HD3' HG12 ' A' ' 16' ' ' ILE . 42.9 ttp180 -74.07 -30.37 62.35 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.284 0.564 . . . . 0.0 109.568 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -42.36 88.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.461 177.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 18.2 mm-40 -54.12 -57.25 11.81 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.571 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.839 -178.478 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.87 0.367 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -85.59 115.03 23.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.018 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.579 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 46.1 m95 -97.82 123.86 41.96 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.426 -177.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 p -68.78 152.65 45.04 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.8 t -59.24 -35.45 73.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.968 0.413 . . . . 0.0 110.291 -176.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.17 -35.91 74.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.748 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.6 82.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.467 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -57.65 -41.74 82.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.553 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -61.74 -47.4 85.37 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.568 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -59.27 -42.2 90.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.298 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' HG ' ' NH1' ' A' ' 21' ' ' ARG . 47.8 tp -60.87 -34.68 74.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.003 -178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -76.82 -17.77 58.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.763 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -90.17 -6.2 55.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.943 0.401 . . . . 0.0 110.689 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.5 mt -82.46 132.17 53.28 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.865 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.57 145.91 56.25 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.203 2.602 . . . . 0.0 112.584 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.52 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 88.6 t80 -55.7 -38.01 69.13 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.626 -177.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -57.77 -32.45 67.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.97 -2.95 22.28 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.697 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.52 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 6.6 mmm180 -53.35 -58.97 5.24 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.7 t -67.47 -37.5 82.99 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.981 0.419 . . . . 0.0 110.691 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -67.14 -44.15 80.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.759 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.23 -52.15 50.61 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.967 -178.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 59.8 tttm -52.35 -45.32 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.332 0.395 . . . . 0.0 110.805 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' A' ' 30' ' ' GLN . . . -55.82 -51.19 68.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.759 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -69.26 -38.85 78.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.384 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 24' ' ' ALA . 97.6 mt -57.27 -47.88 83.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.971 0.415 . . . . 0.0 110.497 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 51.5 mt-10 -69.66 -26.1 64.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 25.4 mt-30 -72.67 -38.02 67.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.094 0.474 . . . . 0.0 109.834 173.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 28' ' ' ILE . 83.2 mt -62.48 -31.08 71.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.409 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.558 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -70.78 -37.05 73.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.42 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 50.2 mtt180 -64.75 -37.12 86.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.457 0.646 . . . . 0.0 109.456 174.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.14 -35.93 81.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.329 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.24 -4.78 59.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.783 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.52 57.81 2.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.818 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -153.45 156.54 38.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.552 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -83.91 -11.64 56.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.257 0.551 . . . . 0.0 110.101 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.1 mt -105.42 138.81 28.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.802 -173.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.579 HG22 ' HA ' ' A' ' 5' ' ' TRP . 13.3 m -104.69 134.84 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 p -101.19 155.96 35.72 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.291 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.418 ' HG2' ' OE2' ' A' ' 43' ' ' GLU . 11.1 Cg_endo -56.75 -25.26 59.7 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.485 2.123 . . . . 0.0 112.18 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' OE2' ' HG2' ' A' ' 42' ' ' PRO . 2.9 mp0 -58.98 -46.91 86.95 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 110.538 175.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.95 -35.79 79.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.783 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.43 -44.47 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.121 0.486 . . . . 0.0 109.835 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -61.18 -50.3 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.102 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -52.01 -54.35 30.97 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.411 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.81 75.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.966 0.412 . . . . 0.0 110.621 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 49' ' ' ARG . 41.5 ttt-85 -65.94 -47.51 74.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.497 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -33.29 68.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.557 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -53.96 -49.58 68.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.027 0.441 . . . . 0.0 110.343 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.449 -179.062 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 38' ' ' ASP . 93.8 mt . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.907 0.384 . . . . 0.0 111.602 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.55 ' HD3' HG12 ' A' ' 39' ' ' ILE . 79.2 ttt180 -84.71 125.6 32.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.648 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.587 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 51.3 m95 -103.83 128.22 51.28 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.502 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.6 p -72.99 167.95 20.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.562 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -37.72 74.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.942 0.401 . . . . 0.0 110.656 177.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -72.5 -40.82 66.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.958 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.81 94.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.977 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -61.36 -45.3 94.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.386 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.5 m -64.13 -46.2 85.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.732 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.481 ' HB3' HG11 ' A' ' 45' ' ' VAL . 58.1 mmtt -57.37 -45.15 84.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.449 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.9 -35.01 79.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 0.0 110.858 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -75.83 -21.82 56.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -81.19 -7.11 59.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.606 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.457 HG12 ' HD2' ' A' ' 49' ' ' ARG . 11.1 mt -91.23 128.54 46.9 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.799 176.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -40.77 134.72 2.31 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.671 2.914 . . . . 0.0 113.004 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -49.87 -46.75 51.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.021 -173.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -66.68 -19.03 65.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.863 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.96 -3.16 15.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.657 0.265 . . . . 0.0 111.126 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -72.51 -42.01 65.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.194 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 m -61.98 -44.36 96.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.275 0.56 . . . . 0.0 110.04 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.69 -36.5 82.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.584 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.95 -44.43 80.61 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.761 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.0 tttm -56.63 -40.16 74.9 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.167 0.292 . . . . 0.0 110.814 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.27 97.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.014 0.435 . . . . 0.0 110.649 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.608 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -64.3 -47.22 80.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.392 177.31 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.523 HD13 HG22 ' A' ' 45' ' ' VAL . 88.9 mt -60.88 -51.18 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.967 -176.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -65.37 -29.23 69.93 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.611 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.49 -40.73 76.85 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 88.9 mt -64.31 -38.95 92.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.392 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.6 -36.49 82.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 177.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -66.77 -31.2 71.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.031 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -64.98 -41.33 95.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 174.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.5 -11.94 60.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.507 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 63.54 38.96 9.36 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.096 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -128.78 166.15 19.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.93 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.506 ' HA ' HD22 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -98.76 -12.61 20.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 0.0 111.337 -176.7 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.55 HG12 ' HD3' ' A' ' 4' ' ' ARG . 45.9 mt -105.32 125.79 60.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.331 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' ' 5' ' ' TRP . 10.5 m -92.54 141.0 15.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.4 p -103.92 159.68 28.52 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.077 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.83 -25.25 75.7 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.259 1.972 . . . . 0.0 111.005 175.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.61 -47.96 82.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.683 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -69.24 -35.99 76.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.779 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.523 HG22 HD13 ' A' ' 28' ' ' ILE . 42.3 t -63.65 -46.0 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 0.0 110.058 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -62.89 -44.06 97.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.76 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 53.9 tp60 -55.01 -47.27 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.698 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.33 79.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.152 0.501 . . . . 0.0 110.931 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.506 ' HE ' ' HA ' ' A' ' 49' ' ' ARG . 1.5 tpm_? -68.9 -38.9 79.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.657 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.42 -39.7 94.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.892 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 9.1 mm-40 -52.68 -51.68 59.21 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.237 178.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.008 0.432 . . . . 0.0 110.741 -178.411 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 86.2 mt . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' A' ' 4' ' ' ARG . 19.1 ttt-85 -74.14 101.76 4.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.596 ' HA ' HG22 ' A' ' 40' ' ' VAL . 50.3 m95 -82.18 124.4 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.483 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.0 p -69.71 160.14 32.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.928 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -60.91 -36.37 79.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.473 0.654 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.51 -39.95 77.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.839 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.45 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -61.85 -46.92 87.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.799 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 63.7 mttm -55.01 -44.94 75.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.797 175.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.7 m -65.64 -42.05 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -63.12 -38.0 89.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.836 0.35 . . . . 0.0 110.577 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.647 HD12 HD12 ' A' ' 16' ' ' ILE . 53.7 tp -64.43 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.839 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 98.4 mttt -72.09 -13.66 61.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.086 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -83.11 -15.5 50.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.953 0.406 . . . . 0.0 110.514 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.647 HD12 HD12 ' A' ' 13' ' ' LEU . 67.4 mt -84.51 127.2 66.72 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.953 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.55 149.5 30.96 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.071 2.514 . . . . 0.0 112.698 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.05 -39.16 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.403 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.97 -27.95 63.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.474 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.23 9.14 13.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.326 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -59.12 -53.13 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -74.68 -29.45 61.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.09 -51.22 48.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.353 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.509 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.81 -41.06 99.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.489 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.5 tttm -54.11 -44.9 71.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.769 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.47 94.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.639 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 17.9 ttm180 -69.39 -38.86 78.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.28 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 24' ' ' ALA . 93.4 mt -59.01 -47.43 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.405 . . . . 0.0 110.897 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -71.18 -22.78 61.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.897 0.379 . . . . 0.0 110.781 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -50.06 37.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 172.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 75.3 mt -57.42 -39.83 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.013 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.523 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.1 -44.69 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.2 mtm180 -65.34 -36.22 83.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.979 0.419 . . . . 0.0 110.531 177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.69 -35.61 81.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.98 -2.89 58.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.632 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 63.81 37.05 10.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.206 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -118.42 139.09 51.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.067 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 7.2 m-20 -92.25 -12.39 32.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.892 0.853 . . . . 0.0 109.108 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -111.09 109.48 28.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.247 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 5' ' ' TRP . 18.4 m -77.2 128.12 38.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.691 0.758 . . . . 0.0 110.037 -176.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.5 p -89.99 154.34 47.41 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.14 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.82 -23.67 68.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.565 2.176 . . . . 0.0 111.681 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.76 -49.5 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.029 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.08 -36.71 82.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.206 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.45 HG21 ' HB1' ' A' ' 9' ' ' ALA . 61.4 t -64.16 -46.32 93.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.79 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -69.31 -38.4 78.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.227 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -54.42 -47.64 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.046 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.82 -30.59 71.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -66.43 -31.51 72.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 50' ' ' LEU . 3.3 mm? -82.0 -25.35 34.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.438 178.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -56.24 -51.88 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.414 0.626 . . . . 0.0 109.563 171.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.823 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 79.1 mt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.503 0.192 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.446 ' HB3' HD13 ' A' ' 39' ' ' ILE . 38.2 ttt180 -85.19 122.25 29.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 0.0 110.398 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.581 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 63.6 m95 -96.46 127.34 42.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.635 -178.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.1 p -66.95 158.67 30.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 171.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p -56.91 -39.95 75.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.917 0.389 . . . . 0.0 110.956 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -67.13 -41.49 86.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.316 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.16 94.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.881 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 6' ' ' THR . 94.3 mttt -62.86 -42.19 99.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.416 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 m -64.46 -45.16 88.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.502 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -63.64 -35.23 79.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.37 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.51 HD12 HD12 ' A' ' 16' ' ' ILE . 36.9 tp -63.94 -32.91 74.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.195 0.522 . . . . 0.0 109.841 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -73.52 -9.2 58.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.293 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.52 -23.55 42.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.017 0.437 . . . . 0.0 109.9 175.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 HD12 ' A' ' 13' ' ' LEU . 28.0 mt -83.45 128.16 65.37 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.862 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.6 142.39 49.76 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.959 2.439 . . . . 0.0 111.975 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -57.31 -27.74 62.44 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.552 -174.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.27 -32.26 73.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.389 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.1 -5.72 10.94 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -174.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -64.12 -43.64 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -173.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 t -71.03 -37.17 72.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.353 0.597 . . . . 0.0 110.175 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -69.14 -39.63 78.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.356 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.541 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.47 -39.11 85.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.448 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 57.0 tttm -57.61 -43.82 84.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.769 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.36 84.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.982 0.42 . . . . 0.0 110.45 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.473 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 21.9 tpt180 -64.8 -44.65 89.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.379 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 24' ' ' ALA . 76.2 mt -59.76 -48.94 85.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -56.73 -39.58 74.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 21.9 tt0 -69.83 -39.89 76.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.399 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 89.6 mt -62.66 -38.62 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -65.95 -35.24 80.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -67.99 -29.18 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.527 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 21.6 mt-30 -76.08 -29.89 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.116 0.484 . . . . 0.0 110.151 176.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.01 -9.69 59.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.526 171.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 63.75 47.41 3.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.223 175.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -148.6 163.11 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.925 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 26.7 m-20 -100.81 -0.69 36.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.072 0.463 . . . . 0.0 110.32 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 4' ' ' ARG . 37.7 mm -100.32 123.38 53.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.726 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 5' ' ' TRP . 17.1 m -98.05 131.8 44.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.303 0.573 . . . . 0.0 110.074 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.447 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.7 p -95.63 162.1 25.45 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 176.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.7 Cg_endo -58.1 -24.33 65.67 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.319 2.012 . . . . 0.0 111.316 177.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.18 -56.31 23.77 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.451 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.95 -38.7 89.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.16 -47.94 91.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.547 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -71.92 -38.6 69.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.711 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 11.6 mm100 -54.86 -43.49 73.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.656 0.265 . . . . 0.0 110.508 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -69.25 -32.03 70.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.702 178.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.506 ' HD3' HG12 ' A' ' 16' ' ' ILE . 24.6 ttp180 -68.05 -33.54 74.77 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 50' ' ' LEU . 2.7 mm? -74.82 -28.26 60.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.018 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 12.1 mm-40 -54.91 -51.85 64.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.671 0.748 . . . . 0.0 109.208 172.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 96.4 m-85 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.428 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.861 0.362 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -86.74 109.37 19.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.345 0.593 . . . . 0.0 110.433 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.608 ' HA ' HG22 ' A' ' 40' ' ' VAL . 45.3 m95 -92.42 127.71 38.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.878 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.5 p -72.9 153.48 40.99 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.3 m -59.36 -33.12 70.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.225 0.536 . . . . 0.0 110.135 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.36 -44.81 82.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.434 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -62.87 -45.38 92.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.938 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 64.0 mtpt -57.05 -40.14 76.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 m -67.34 -44.08 79.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.679 0.276 . . . . 0.0 110.538 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -57.72 -38.87 76.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.607 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.658 HD12 HD12 ' A' ' 16' ' ' ILE . 52.1 tp -64.76 -33.98 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.878 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 96.9 mttt -71.19 -17.1 62.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -82.68 -13.2 56.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.547 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.658 HD12 HD12 ' A' ' 13' ' ' LEU . 56.6 mt -84.57 133.13 44.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.261 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.35 139.1 22.77 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.393 2.729 . . . . 0.0 112.815 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -48.11 -40.04 22.28 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -72.75 -45.34 59.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -176.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.92 -11.35 57.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.346 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 21' ' ' ARG . 24.9 ttp180 -62.17 -37.0 83.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.674 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 t -71.52 -39.26 70.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.083 0.468 . . . . 0.0 110.104 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -70.15 -41.34 73.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.474 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.8 -48.57 78.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.56 177.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.7 tttm -51.84 -43.27 63.13 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.448 0.467 . . . . 0.0 110.71 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.99 78.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.978 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 60.1 ttt180 -72.69 -35.86 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.189 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 24' ' ' ALA . 90.5 mt -59.12 -50.75 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.913 0.387 . . . . 0.0 110.984 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.16 -26.3 63.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.048 0.451 . . . . 0.0 110.568 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.507 ' CA ' HE21 ' A' ' 30' ' ' GLN . 0.0 OUTLIER -68.63 -41.4 79.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.07 174.228 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 67.0 mt -60.56 -41.6 94.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.799 178.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.544 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -65.49 -35.27 80.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 33' ' ' ARG . 19.8 mtp180 -74.97 -26.16 59.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.205 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -69.43 -30.55 68.51 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 173.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.0 -11.31 53.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.295 173.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.59 45.0 3.71 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.45 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -132.52 159.69 38.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.686 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.21 -15.56 31.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.849 0.357 . . . . 0.0 111.354 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 58.5 mt -101.49 132.33 47.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.746 -173.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.608 HG22 ' HA ' ' A' ' 5' ' ' TRP . 13.8 m -101.43 130.35 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.407 0.622 . . . . 0.0 109.361 173.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.8 p -94.33 159.11 34.63 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.838 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.97 -23.64 52.89 Favored 'Trans proline' 0 CA--C 1.528 0.205 0 C-N-CA 122.409 2.073 . . . . 0.0 111.69 177.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.31 -55.59 32.83 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.928 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.6 -39.88 94.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.449 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.477 HG21 ' HB1' ' A' ' 9' ' ' ALA . 61.3 t -60.37 -48.4 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.038 0.447 . . . . 0.0 110.806 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -70.5 -40.99 73.23 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.039 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 60.9 tp60 -55.28 -47.84 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.419 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.29 80.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.636 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -66.35 -36.35 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.65 -41.34 68.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.163 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 79.9 mm-40 -52.6 -51.69 58.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 176.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 66.9 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.702 0.287 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -104.52 160.45 14.93 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -101.2 178.44 4.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.986 176.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -83.91 112.34 20.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.023 0.44 . . . . 0.0 110.388 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.578 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 48.5 m95 -92.13 124.18 36.02 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.551 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.2 p -70.92 157.42 38.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.91 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.1 m -57.06 -39.12 74.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.816 0.341 . . . . 0.0 110.772 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.19 -40.73 86.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.572 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.97 98.07 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.718 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 59.5 mtpt -54.47 -46.54 73.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.846 175.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.7 m -64.17 -41.5 97.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.917 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -62.81 -38.89 92.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.359 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.9 -34.78 78.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 110.342 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 59.5 mttm -68.51 -28.91 67.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.111 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -75.18 -13.02 60.42 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.967 0.413 . . . . 0.0 111.079 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 66.9 mt -83.91 138.92 40.03 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.847 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.43 136.18 68.6 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.778 2.318 . . . . 0.0 112.39 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -57.36 -35.66 70.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.11 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -61.54 -29.13 69.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.812 0.339 . . . . 0.0 111.496 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.68 13.84 14.3 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 mtm180 -71.54 -43.14 66.95 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.61 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.0 t -61.18 -43.26 99.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 21.8 tp60 -56.95 -50.5 72.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.641 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -65.01 -44.59 88.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.404 -178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.2 tttm -54.93 -43.63 73.54 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.806 0.336 . . . . 0.0 110.727 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.54 -41.18 93.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.37 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 26.5 mmm180 -66.79 -49.19 66.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.882 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.524 HD13 HG22 ' A' ' 45' ' ' VAL . 76.6 mt -56.75 -50.26 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.604 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.06 -30.67 69.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.068 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.11 -35.47 71.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.071 0.463 . . . . 0.0 109.998 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 28' ' ' ILE . 61.6 mt -63.9 -38.45 91.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.048 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.534 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.9 -36.87 82.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.686 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -72.34 -26.14 61.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.006 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -67.88 -26.53 66.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.15 -4.51 27.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.105 176.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 56.54 41.96 27.9 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.983 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -110.6 145.17 38.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.469 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -89.31 -13.53 37.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.359 0.599 . . . . 0.0 109.757 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.1 mt -115.92 128.69 73.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.019 -175.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 32' ' ' ALA . 13.2 m -95.61 135.5 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.284 0.564 . . . . 0.0 110.343 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 69.7 p -97.13 161.81 24.93 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.798 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 20.4 Cg_endo -61.14 -18.56 58.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.392 2.062 . . . . 0.0 111.555 175.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -70.49 -39.21 74.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.29 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.02 -41.42 86.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.343 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.524 HG22 HD13 ' A' ' 28' ' ' ILE . 44.6 t -60.75 -43.0 94.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.35 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' OE2' ' HD3' ' A' ' 49' ' ' ARG . 7.1 tp10 -62.25 -44.18 97.14 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.925 178.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.497 HE21 ' HA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -52.5 -48.89 65.71 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.615 179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.41 80.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.349 0.595 . . . . 0.0 110.817 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD3' ' OE2' ' A' ' 46' ' ' GLU . 30.5 ttt-85 -71.11 -36.45 72.17 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.533 0.683 . . . . 0.0 109.965 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -73.12 -42.73 62.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.708 -177.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.94 -38.84 89.96 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.571 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 27' ' ' ARG . 22.0 m-30 -68.17 -32.64 73.04 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.852 0.358 . . . . 0.0 110.52 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.22 -37.75 86.99 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.953 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 50' ' ' LEU . 21.5 mt-30 -73.48 -36.51 65.83 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -177.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -85.32 -4.58 59.21 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.808 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.04 105.84 7.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.149 0.499 . . . . 0.0 111.117 -178.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -110.9 33.18 4.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.825 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 82.9 t60 71.42 -71.34 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.415 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -81.95 86.3 6.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 122.008 0.909 . . . . 0.0 110.36 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -85.42 62.51 7.53 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.051 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -178.96 177.36 0.83 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.346 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.0 p80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.108 176.825 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 121.088 0.471 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -138.39 159.05 43.07 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 174.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 38' ' ' ASP . 69.9 mt -105.05 178.66 4.5 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.738 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -90.59 114.17 26.35 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.716 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.613 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -94.76 131.01 41.05 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.753 -176.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.51 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 53.9 p -78.56 162.85 26.0 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 177.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.7 p -57.87 -35.44 70.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.961 0.41 . . . . 0.0 111.16 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.548 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 1.6 mp0 -68.17 -47.16 68.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.876 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.49 98.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.255 -177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 6' ' ' THR . 54.6 mtpt -63.06 -38.48 91.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.422 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.2 m -70.99 -41.43 70.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.991 0.424 . . . . 0.0 110.604 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -57.8 -43.13 85.44 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.53 -40.68 97.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.101 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -67.82 -13.75 62.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.991 0.424 . . . . 0.0 111.091 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -88.49 -3.25 58.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.907 0.384 . . . . 0.0 110.535 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.567 HG12 ' HD3' ' A' ' 49' ' ' ARG . 40.9 mt -95.57 137.21 22.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 173.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.16 134.37 43.58 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.906 2.404 . . . . 0.0 112.285 177.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.12 -38.72 73.85 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.96 -173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -64.21 -15.73 60.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.322 -176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.35 -0.11 11.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -69.01 -40.84 78.43 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 m -63.23 -37.96 89.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.367 0.603 . . . . 0.0 110.115 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -74.12 -42.84 59.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.832 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.95 -43.57 82.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.613 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 66.1 tttm -56.2 -44.35 79.36 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.591 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.28 -44.3 83.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.473 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 22.7 ttm-85 -66.67 -46.54 75.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.212 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.7 mt -56.15 -49.14 77.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 111.178 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' HA ' HD12 ' A' ' 3' ' ' LEU . 55.8 mt-10 -71.23 -26.02 62.75 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.147 -178.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.98 -38.21 72.75 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.758 0.313 . . . . 0.0 110.411 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 70.4 mt -62.14 -42.58 99.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.203 0.525 . . . . 0.0 110.318 177.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 37' ' ' GLN . . . -67.56 -43.15 81.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.048 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ARG . 27.5 mmt180 -67.36 -19.69 65.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 176.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -68.22 -40.42 82.11 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.91 -9.97 59.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.291 173.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 63.16 35.1 13.01 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.971 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 4.6 pt20 -104.76 146.56 28.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.687 177.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' HA ' HD22 ' A' ' 3' ' ' LEU . 7.2 m-20 -91.74 -6.93 51.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.016 0.436 . . . . 0.0 110.503 -178.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -118.3 129.93 73.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.035 -176.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 32' ' ' ALA . 23.1 m -96.65 135.11 31.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.048 0.452 . . . . 0.0 110.332 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.465 ' OG1' HD13 ' A' ' 44' ' ' LEU . 4.6 p -96.34 157.26 35.82 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.643 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.91 -31.4 81.43 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 123.096 2.53 . . . . 0.0 112.912 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -70.31 -30.68 67.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.827 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.465 HD13 ' OG1' ' A' ' 41' ' ' THR . 9.0 mp -68.85 -39.68 79.76 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 175.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.5 t -62.66 -43.61 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.879 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' CD ' HH21 ' A' ' 49' ' ' ARG . 10.5 tp10 -60.92 -47.61 85.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.236 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -57.14 -38.61 73.76 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.708 -178.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.72 97.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.219 0.533 . . . . 0.0 110.379 176.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HD3' HG12 ' A' ' 16' ' ' ILE . 38.7 ttp180 -73.43 -26.18 60.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.175 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -65.78 -45.83 80.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.417 176.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 34.9 mm-40 -54.84 -55.27 32.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.354 177.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -65.79 -29.87 70.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.52 -5.39 77.94 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.718 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -109.94 -43.22 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.79 0.328 . . . . 0.0 110.693 171.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.05 -42.69 94.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.972 -176.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -79.05 -72.62 0.38 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.917 0.389 . . . . 0.0 109.986 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -140.27 112.85 7.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.249 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -46.83 129.26 11.53 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.835 0.71 . . . . 0.0 110.49 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -53.88 107.71 0.29 Allowed 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 123.557 0.536 . . . . 0.0 110.701 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -113.2 79.96 1.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.847 0.832 . . . . 0.0 110.815 -178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -100.3 127.22 46.65 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.633 177.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 40.6 m80 . . . . . 0 C--O 1.244 0.799 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.119 177.126 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.785 0.326 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -148.85 147.86 29.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD11 ' HG3' ' A' ' 33' ' ' ARG . 48.6 mt -100.12 175.37 5.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.837 0.351 . . . . 0.0 110.338 176.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.21 113.0 21.88 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.322 0.582 . . . . 0.0 110.51 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.68 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 43.6 m95 -94.05 123.84 37.68 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.977 -178.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.0 p -69.13 159.29 33.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.104 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -35.99 71.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.137 0.494 . . . . 0.0 111.058 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -71.26 -42.63 68.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.13 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.54 -46.49 89.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.327 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 58.8 mtpt -59.66 -38.67 82.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.0 m -65.3 -42.93 92.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.535 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -66.01 -33.47 75.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.723 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD12 HD12 ' A' ' 16' ' ' ILE . 34.8 tp -64.09 -34.58 78.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.259 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 96.5 mttt -66.95 -21.12 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.102 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -77.86 -11.98 59.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.081 0.467 . . . . 0.0 110.456 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.523 HD12 HD12 ' A' ' 13' ' ' LEU . 27.7 mt -89.9 133.34 34.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.213 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -46.26 137.03 14.48 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.145 2.564 . . . . 0.0 112.331 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -51.84 -47.99 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -70.5 -28.5 65.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 111.84 -174.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.08 -7.16 33.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.885 0.374 . . . . 0.0 110.97 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.413 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 38.3 ttm180 -65.18 -42.15 93.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.284 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.6 t -64.93 -36.38 84.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.268 0.556 . . . . 0.0 110.021 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -72.4 -44.05 63.05 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.436 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -63.82 -42.12 97.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.291 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 60.7 tttm -52.99 -44.17 67.01 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 123.318 0.386 . . . . 0.0 110.841 177.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.531 ' O ' ' HG3' ' A' ' 30' ' ' GLN . . . -56.7 -46.94 80.91 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.448 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.561 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 45.7 mtp85 -67.72 -42.86 81.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.918 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.597 HD13 HG13 ' A' ' 45' ' ' VAL . 74.8 mt -56.64 -47.21 82.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.803 0.335 . . . . 0.0 111.063 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 87.4 mt-10 -66.03 -37.61 86.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.715 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 79.7 mt-30 -62.17 -35.37 78.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.463 176.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 95.3 mt -64.52 -38.76 92.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.585 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.18 68.26 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.027 0.442 . . . . 0.0 110.602 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 83.0 mtt180 -63.5 -32.34 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.707 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -65.52 -36.66 84.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.19 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.11 -5.41 58.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.04 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 70.45 43.44 0.8 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.526 176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -137.91 155.37 49.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.005 175.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -93.4 -2.08 55.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.064 0.459 . . . . 0.0 110.623 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -110.76 132.0 60.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.412 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 5' ' ' TRP . 21.3 m -97.45 138.15 23.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-O 121.319 0.581 . . . . 0.0 110.045 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 p -103.3 156.49 35.35 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.457 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -56.42 -37.29 97.41 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.268 2.645 . . . . 0.0 114.295 -172.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -77.07 -24.87 51.86 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.663 -175.489 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.99 -36.99 78.48 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.22 0.534 . . . . 0.0 109.715 172.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.597 HG13 HD13 ' A' ' 28' ' ' ILE . 91.1 t -61.18 -51.04 77.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.942 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -74.57 -22.79 58.81 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.296 -0.562 . . . . 0.0 110.533 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -63.03 -41.64 99.57 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.066 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.93 73.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.027 174.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.4 ttt-85 -71.48 -28.74 64.14 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.95 -42.31 73.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.417 177.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.605 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 37.7 mt-10 -58.18 -50.87 72.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.886 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -71.94 -24.4 61.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.675 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.46 -29.37 75.06 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.063 -0.589 . . . . 0.0 111.682 175.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.905 HE21 ' HA ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -89.25 -30.09 18.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.729 0.299 . . . . 0.0 110.52 177.011 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 79.4 mt -74.35 -23.74 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.345 178.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 57' ' ' HIS . 10.1 mm-40 65.57 62.29 0.66 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.99 173.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 14.8 m170 71.52 -56.2 0.64 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.37 0.668 . . . . 0.0 111.393 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -145.51 138.06 25.86 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.443 ' CD2' HD22 ' A' ' 55' ' ' LEU . 27.0 m170 -43.65 103.04 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.101 0.875 . . . . 0.0 111.449 -177.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -78.74 -75.4 0.23 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.147 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -113.54 -7.99 13.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.174 0.511 . . . . 0.0 109.671 176.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 C--O 1.248 1.011 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.174 177.375 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptp . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 120.595 0.236 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -102.21 134.6 45.21 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.4 mt -109.42 -179.83 3.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.818 0.342 . . . . 0.0 111.373 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.507 ' HD3' HG12 ' A' ' 39' ' ' ILE . 38.3 ttt85 -77.62 116.23 18.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.964 0.411 . . . . 0.0 110.539 178.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.691 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.7 m95 -96.41 129.7 43.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.664 177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 40.1 p -73.88 156.7 37.42 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.503 175.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.9 m -60.5 -31.96 70.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.119 0.485 . . . . 0.0 110.711 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -68.14 -44.23 76.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.968 175.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.97 99.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.913 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 6' ' ' THR . 97.0 mttt -55.02 -47.19 75.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.924 0.392 . . . . 0.0 110.602 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -63.0 -38.7 92.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.875 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -66.31 -38.52 87.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.932 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.1 tp -65.87 -37.43 86.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.252 0.549 . . . . 0.0 110.07 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -70.27 -20.11 63.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.33 175.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -77.74 -17.97 57.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.824 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.594 HG12 ' HG3' ' A' ' 49' ' ' ARG . 47.3 mt -86.97 136.51 34.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.662 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.91 136.06 65.17 Favored 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.533 2.155 . . . . 0.0 111.546 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 63.3 t80 -51.04 -35.02 32.15 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 122.781 0.432 . . . . 0.0 111.674 -178.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -57.43 -31.1 65.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.629 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.13 5.87 12.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.537 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 6.0 mtm180 -64.24 -49.14 73.08 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.086 -0.246 . . . . 0.0 111.251 -178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.7 m -61.96 -43.84 98.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.983 0.42 . . . . 0.0 110.665 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 6.1 tp-100 -61.48 -49.4 76.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.431 177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -61.77 -47.71 83.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.737 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.691 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 66.0 tttm -51.97 -44.85 64.19 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.474 0.484 . . . . 0.0 110.964 -179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.77 91.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.995 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.568 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 43.0 ttt180 -75.86 -35.9 59.75 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.003 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 24' ' ' ALA . 94.0 mt -59.21 -53.17 51.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.12 0.486 . . . . 0.0 110.779 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 49.3 mt-10 -69.79 -24.11 63.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.298 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -69.66 -40.83 76.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.954 0.407 . . . . 0.0 110.029 172.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 81.3 mt -64.85 -33.11 75.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.486 178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.484 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.72 -36.8 83.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.16 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 36.7 mmt180 -66.02 -36.63 83.79 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.245 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -61.3 -40.76 95.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.516 176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.25 -12.0 59.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.448 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 67.48 37.2 3.51 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.247 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -126.08 146.69 49.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.665 176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.9 15.62 16.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.217 0.532 . . . . 0.0 110.64 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.507 HG12 ' HD3' ' A' ' 4' ' ' ARG . 66.5 mt -126.94 135.5 63.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.536 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 5' ' ' TRP . 20.2 m -103.25 138.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.239 0.542 . . . . 0.0 110.679 178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 34.8 p -97.07 159.25 31.82 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.229 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.4 Cg_endo -60.41 -32.06 93.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.407 2.072 . . . . 0.0 112.007 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.09 -25.77 58.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.89 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.44 -41.66 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.117 0.484 . . . . 0.0 109.827 172.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG22 HD13 ' A' ' 28' ' ' ILE . 40.1 t -63.77 -42.6 96.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.648 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.522 ' CD ' HH12 ' A' ' 49' ' ' ARG . 51.8 tp10 -55.07 -57.28 12.37 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.966 174.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 58.4 tp60 -55.03 -47.17 75.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.347 -178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.3 82.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.673 0.273 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.594 ' HG3' HG12 ' A' ' 16' ' ' ILE . 1.1 tmm_? -76.57 -23.85 53.54 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.96 -41.01 62.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.472 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 78.2 mm-40 -53.07 -54.42 35.81 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.776 177.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 23' ' ' GLN . 70.0 m-85 -71.43 -24.98 62.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.739 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.86 -39.53 97.46 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 175.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -74.24 -34.38 63.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.394 . . . . 0.0 111.021 176.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 95.1 mt -68.13 -35.27 77.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -93.01 8.45 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.546 0.689 . . . . 0.0 110.087 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -84.96 114.56 22.24 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -92.75 122.69 35.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.861 -175.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -140.87 -78.16 0.29 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.09 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 61' ' ' HIS . 16.1 p80 -142.25 24.82 1.93 Allowed 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -172.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 60' ' ' HIS . 52.1 m-70 64.02 -159.82 0.3 Allowed 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.852 -0.594 . . . . 0.0 109.808 174.227 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.959 0.409 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -134.42 129.36 35.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.421 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.5 mt -85.47 -179.2 6.88 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 172.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' HD2' HG12 ' A' ' 39' ' ' ILE . 71.9 mtt180 -84.37 117.25 23.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.031 0.443 . . . . 0.0 109.842 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.564 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 47.7 m95 -99.6 125.26 45.38 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.888 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.8 p -71.85 157.96 36.93 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -57.95 -41.5 82.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.452 0.644 . . . . 0.0 109.956 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -60.93 -44.06 97.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.62 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -45.42 90.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.274 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 55.8 mtpt -57.65 -43.16 84.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.057 177.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.8 m -67.37 -39.37 85.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -63.65 -39.5 94.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.028 176.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.602 HD12 HD12 ' A' ' 16' ' ' ILE . 46.1 tp -60.52 -36.22 77.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.117 0.484 . . . . 0.0 110.495 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 97.5 mttt -69.22 -15.01 63.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.468 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -92.87 3.17 56.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.021 0.439 . . . . 0.0 110.83 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.602 HD12 HD12 ' A' ' 13' ' ' LEU . 56.8 mt -95.95 133.27 25.56 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.776 175.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -52.69 134.96 55.52 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.818 2.345 . . . . 0.0 111.676 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -53.18 -44.99 68.32 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -171.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -58.05 -27.62 63.76 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.51 9.22 13.16 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.975 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -72.72 -50.38 25.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.864 0.364 . . . . 0.0 110.698 -175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 m -66.55 -27.73 67.98 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.103 0.478 . . . . 0.0 110.157 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.457 ' HA ' HE21 ' A' ' 23' ' ' GLN . 0.1 OUTLIER -72.96 -46.5 52.04 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.763 177.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.584 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -60.18 -43.16 96.07 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.224 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 63.7 tttm -51.3 -48.17 62.38 Favored 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.444 0.465 . . . . 0.0 110.985 177.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.8 -36.9 75.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.612 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 15.8 ttm180 -76.9 -38.03 54.32 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.869 178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 24' ' ' ALA . 86.6 mt -58.34 -52.87 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-O 121.051 0.453 . . . . 0.0 110.699 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.02 -28.64 67.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.403 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -65.11 -44.16 89.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.229 172.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 83.8 mt -65.26 -31.91 73.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.779 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.517 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.41 -36.26 82.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.807 0.337 . . . . 0.0 110.745 176.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -62.75 -37.48 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.308 175.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -71.49 -32.34 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.954 0.407 . . . . 0.0 110.366 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.5 -4.61 54.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.98 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 64.78 35.29 8.79 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.908 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -133.92 143.52 48.28 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.711 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -86.5 -9.2 56.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.494 0.664 . . . . 0.0 109.971 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.5 HG12 ' HD2' ' A' ' 4' ' ' ARG . 45.6 mt -110.03 132.94 56.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.682 -177.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 32' ' ' ALA . 14.3 m -98.61 135.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.363 0.601 . . . . 0.0 110.457 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.508 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 24.9 p -99.27 161.24 25.32 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.018 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 17.9 Cg_endo -59.08 -23.18 67.7 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.555 2.17 . . . . 0.0 111.961 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -68.09 -42.4 80.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.273 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.427 HD13 ' OG1' ' A' ' 41' ' ' THR . 10.8 mp -66.58 -39.38 88.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.144 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.488 HG22 HD13 ' A' ' 28' ' ' ILE . 47.0 t -61.99 -45.1 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.199 0.523 . . . . 0.0 110.165 175.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -58.73 -53.64 56.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.084 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -52.91 -47.56 67.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.567 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -63.71 -34.54 78.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.625 0.25 . . . . 0.0 111.203 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.574 ' HD3' HG12 ' A' ' 16' ' ' ILE . 40.2 ttp180 -69.33 -39.71 78.02 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.654 -0.418 . . . . 0.0 109.888 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' HA ' HD13 ' A' ' 50' ' ' LEU . 3.1 mm? -73.27 -27.1 61.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.09 178.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 64.3 mm-40 -54.32 -53.21 56.88 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 171.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -78.96 -23.99 44.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.725 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -66.18 -38.17 93.63 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.987 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -90.31 -29.49 18.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.563 0.22 . . . . 0.0 111.323 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.5 mt -76.27 -72.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.165 -0.214 . . . . 0.0 110.49 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.593 ' CD ' ' H ' ' A' ' 57' ' ' HIS . 2.2 tm-20 53.55 -145.56 0.59 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -178.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.593 ' H ' ' CD ' ' A' ' 56' ' ' GLU . 33.7 t-80 53.51 58.55 5.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 111.174 176.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -62.35 109.26 1.29 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -105.92 113.34 26.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 57.01 33.37 23.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.109 -0.951 . . . . 0.0 111.579 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -77.48 -29.71 52.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.7 t60 . . . . . 0 C--O 1.245 0.823 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.057 173.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.659 0.266 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -152.32 172.59 16.23 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.2 mt -116.15 -179.47 3.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.128 175.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -88.15 131.4 34.73 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.917 0.389 . . . . 0.0 110.333 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.643 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -109.18 131.1 55.39 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -175.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 p -71.58 159.34 34.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.953 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.3 m -56.14 -41.06 74.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.28 0.562 . . . . 0.0 110.32 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 3.2 mp0 -65.38 -45.44 84.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.65 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.0 90.95 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.08 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 64.9 mttm -55.71 -48.39 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m -60.7 -44.51 96.47 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HG3' ' CB ' ' A' ' 42' ' ' PRO . 1.5 mmmm -66.56 -32.96 74.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.421 -178.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.575 HD12 HD12 ' A' ' 16' ' ' ILE . 59.3 tp -64.65 -35.42 80.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.998 0.427 . . . . 0.0 110.249 177.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 94.7 mttt -70.18 -16.38 63.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.48 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -82.25 -15.59 52.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.198 0.523 . . . . 0.0 110.25 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.577 HG12 ' HG3' ' A' ' 49' ' ' ARG . 59.2 mt -81.53 134.4 51.22 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.69 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.34 130.1 36.82 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.486 2.124 . . . . 0.0 111.523 176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 92.1 t80 -52.23 -38.24 57.5 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.326 0.391 . . . . 0.0 111.996 -175.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -57.65 -27.73 63.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.042 0.448 . . . . 0.0 111.24 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.57 8.19 11.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.382 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 8.7 mtm180 -66.06 -46.33 78.17 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 121.012 -0.275 . . . . 0.0 111.433 -178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -61.75 -41.02 97.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.204 0.526 . . . . 0.0 110.36 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -66.65 -48.29 69.86 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.703 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.6 -48.02 81.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.643 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 52.6 tttm -55.58 -39.64 70.96 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 123.468 0.48 . . . . 0.0 110.896 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.13 80.34 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.474 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.578 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 15.3 ttm180 -73.29 -39.75 65.09 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.133 179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 24' ' ' ALA . 85.3 mt -54.3 -48.51 67.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 120.997 0.427 . . . . 0.0 111.091 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 60.3 mt-10 -71.8 -29.73 64.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.863 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -68.88 -37.66 79.17 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.828 0.347 . . . . 0.0 110.856 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 84.1 mt -62.29 -37.96 87.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.972 0.415 . . . . 0.0 110.1 177.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -67.22 -32.83 74.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.725 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 5.2 mmp_? -66.6 -33.71 76.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.069 0.462 . . . . 0.0 109.881 174.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.8 -35.1 79.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.682 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.77 -8.14 56.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.958 177.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 65.11 29.17 12.11 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.156 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -110.38 143.36 40.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -88.32 -9.69 51.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.232 0.539 . . . . 0.0 110.067 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.8 mt -112.35 126.6 69.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.098 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 5' ' ' TRP . 19.6 m -93.47 142.79 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.163 0.506 . . . . 0.0 110.759 -178.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.465 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 29.1 p -104.51 159.81 28.1 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.977 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.546 ' CB ' ' HG3' ' A' ' 12' ' ' LYS . 21.4 Cg_endo -59.14 -22.98 67.04 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.835 2.356 . . . . 0.0 112.196 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -64.04 -51.8 62.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.173 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.41 -35.07 79.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.665 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.6 t -59.32 -52.24 63.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.108 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.57 -33.29 62.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.461 -178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 25.4 tp60 -53.69 -50.59 65.53 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.609 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.06 -31.53 72.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.048 0.451 . . . . 0.0 110.626 178.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.577 ' HG3' HG12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.07 -38.31 78.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.682 -178.106 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -40.25 78.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.945 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 47' ' ' GLN . 50.0 mt-10 -56.82 -48.65 77.53 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.435 178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 45.1 m-85 -72.95 -18.6 61.37 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.149 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.8 -29.81 75.87 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 172.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -93.86 -43.37 8.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.784 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 74.7 mt -78.16 5.92 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.365 -174.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -69.15 86.23 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.333 0.587 . . . . 0.0 109.523 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -72.0 114.28 9.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.533 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 61.33 -100.35 0.1 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.531 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.9 m170 65.2 -66.91 0.13 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.768 0.427 . . . . 0.0 111.271 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -78.88 126.97 31.41 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.244 -177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -87.53 107.27 18.5 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--O 1.246 0.895 0 O-C-N 123.853 0.72 . . . . 0.0 109.811 -176.9 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mmt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -95.13 145.57 24.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.815 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.7 mt -89.69 178.28 6.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.834 0.35 . . . . 0.0 110.428 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.416 ' HD3' HG12 ' A' ' 39' ' ' ILE . 37.5 ttt180 -81.82 107.74 14.79 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 48.1 m95 -90.09 124.03 34.45 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 p -70.24 161.29 30.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.766 175.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.5 t -61.14 -36.99 81.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.066 0.46 . . . . 0.0 109.931 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -65.62 -44.32 86.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.27 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.27 -45.63 93.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.834 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -58.03 -41.08 82.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.618 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -63.88 -48.5 76.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.683 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -64.29 -35.7 81.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.662 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.3 tp -63.53 -32.23 73.62 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.079 0.466 . . . . 0.0 110.154 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -76.34 -4.39 41.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.238 177.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.53 -8.38 50.47 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.299 0.571 . . . . 0.0 109.603 174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.6 mt -97.25 124.89 47.62 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.156 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -52.12 133.56 47.3 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.847 2.365 . . . . 0.0 111.82 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.463 ' HA ' ' HB3' ' A' ' 21' ' ' ARG . 53.1 p90 -57.43 -27.0 62.02 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -60.88 -35.25 76.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.959 0.409 . . . . 0.0 110.991 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.18 -5.94 13.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.019 -178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' HB3' ' HA ' ' A' ' 18' ' ' PHE . 59.4 ttt180 -64.12 -37.07 86.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.41 -176.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.8 p -63.97 -44.55 92.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.198 0.523 . . . . 0.0 110.252 177.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -66.15 -43.69 86.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.274 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.525 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -64.28 -43.05 96.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.282 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 63.5 tttm -56.13 -43.99 78.75 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.175 0.297 . . . . 0.0 110.672 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.94 86.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.599 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.57 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 19.4 tpt180 -70.08 -45.5 66.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.854 179.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.0 mt -56.17 -51.56 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 0.0 111.035 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.678 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 56.6 mt-10 -67.77 -32.35 72.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.497 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -65.18 -42.09 94.0 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.984 0.421 . . . . 0.0 110.029 175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 80.6 mt -60.62 -38.67 85.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.28 176.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -65.75 -40.57 92.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.607 176.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.678 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 87.4 mtt-85 -60.5 -40.69 92.29 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -65.38 -39.56 92.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.172 179.198 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.24 -6.73 54.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.049 0.452 . . . . 0.0 110.729 176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 66.27 24.87 10.6 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.768 176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -110.22 140.06 44.74 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.611 175.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.64 0.01 57.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.244 0.545 . . . . 0.0 110.215 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.416 HG12 ' HD3' ' A' ' 4' ' ' ARG . 41.8 mt -113.04 133.35 59.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.211 178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 5' ' ' TRP . 20.1 m -98.29 134.64 36.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.359 0.6 . . . . 0.0 110.339 178.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 p -100.87 155.36 36.41 Favored Pre-proline 0 C--N 1.313 -0.979 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.213 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.12 -30.98 94.61 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.928 2.418 . . . . 0.0 113.65 -173.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -24.09 51.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.603 0.239 . . . . 0.0 111.358 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.29 -37.86 68.9 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.076 0.465 . . . . 0.0 109.751 171.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.483 HG22 HG21 ' A' ' 28' ' ' ILE . 80.8 t -61.29 -45.4 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.09 175.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -71.2 -35.9 71.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.396 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.562 HE21 ' C ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -54.62 -51.35 65.65 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.661 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.84 -31.28 70.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.05 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -66.6 -40.99 89.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.571 0.7 . . . . 0.0 109.375 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -29.53 62.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.725 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 44.0 mm-40 -54.99 -51.89 64.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.137 174.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 85.9 m-85 -73.24 -22.63 60.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.182 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.69 -31.83 81.42 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.473 -0.87 . . . . 0.0 111.603 171.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -88.91 -30.56 18.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.958 0.409 . . . . 0.0 110.653 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 52' ' ' PHE . 96.1 mt -83.15 -2.81 56.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.947 -177.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.01 102.01 0.93 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.107 0.479 . . . . 0.0 109.861 177.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -104.8 -0.6 27.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.687 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -85.82 -31.36 22.35 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 175.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -102.46 90.07 3.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.812 -1.086 . . . . 0.0 109.199 168.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -145.6 98.86 3.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.828 0.347 . . . . 0.0 111.679 -177.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -160.07 137.15 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 169.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.775 -179.365 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtm . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.913 0.387 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -93.21 155.03 17.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.537 HD11 ' HG3' ' A' ' 33' ' ' ARG . 33.6 mt -96.48 -179.47 4.63 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.029 0.442 . . . . 0.0 111.076 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 39' ' ' ILE . 53.0 mtt180 -92.47 120.16 32.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.838 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.55 ' HA ' HG22 ' A' ' 40' ' ' VAL . 32.7 m95 -103.1 135.31 45.0 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.847 -173.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.1 p -73.74 155.89 38.43 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -57.85 -38.07 75.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.102 0.477 . . . . 0.0 110.849 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 42' ' ' PRO . 44.4 mt-10 -72.29 -33.68 67.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.894 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.88 -39.28 83.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 110.446 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 6' ' ' THR . 65.0 mttm -59.92 -44.79 94.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.791 175.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.0 m -61.34 -45.69 93.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.729 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -64.33 -38.51 91.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.399 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.74 -44.73 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.994 0.426 . . . . 0.0 110.256 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -69.46 -12.46 61.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.193 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -79.64 -20.49 46.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.386 0.613 . . . . 0.0 109.552 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.552 HG12 ' HD3' ' A' ' 49' ' ' ARG . 55.3 mt -86.0 133.76 40.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.062 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.6 134.47 53.2 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.057 2.505 . . . . 0.0 112.14 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -47.65 -42.43 24.47 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.594 0.559 . . . . 0.0 112.29 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.28 -33.39 67.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.567 -177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.12 -0.41 15.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.732 0.301 . . . . 0.0 111.152 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -69.72 -46.18 66.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.989 -175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -63.81 -37.47 87.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.16 0.505 . . . . 0.0 110.269 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -67.9 -46.71 70.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.616 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.564 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -63.76 -42.59 97.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.349 176.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 47.6 tttm -55.76 -42.39 75.4 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 123.258 0.349 . . . . 0.0 110.823 177.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.89 79.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.584 177.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.546 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 16.3 mtp180 -75.65 -34.28 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.606 177.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.564 HG13 ' O ' ' A' ' 24' ' ' ALA . 83.4 mt -62.78 -52.03 64.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.972 0.415 . . . . 0.0 110.634 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.44 -25.87 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.622 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.469 ' HB3' ' O ' ' A' ' 27' ' ' ARG . 34.6 tt0 -64.58 -48.2 75.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.221 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 75.6 mt -60.51 -38.73 85.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.273 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -75.34 -38.26 60.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.467 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.537 ' HG3' HD11 ' A' ' 3' ' ' LEU . 58.5 mtm180 -71.9 -19.69 61.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.038 0.447 . . . . 0.0 110.145 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -74.5 -32.53 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.459 173.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.52 -6.73 58.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.267 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 63.55 52.6 2.26 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.184 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -137.55 170.28 16.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.117 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 8.6 m-20 -96.55 -28.59 14.31 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.723 0.297 . . . . 0.0 110.892 -176.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' ARG . 51.1 mt -102.01 138.99 24.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.267 -171.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 5' ' ' TRP . 12.0 m -106.66 141.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.23 0.538 . . . . 0.0 110.079 176.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.3 p -104.24 155.95 36.48 Favored Pre-proline 0 C--N 1.317 -0.809 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.374 178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' HG3' ' HB2' ' A' ' 8' ' ' GLU . 53.4 Cg_exo -51.19 -30.96 34.49 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.844 2.363 . . . . 0.0 112.93 177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -61.5 -43.02 99.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.06 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.67 -35.04 78.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.74 0.305 . . . . 0.0 110.785 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.456 HG22 HD13 ' A' ' 28' ' ' ILE . 57.4 t -64.47 -45.54 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.211 0.529 . . . . 0.0 109.734 175.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.437 ' CD ' HH21 ' A' ' 49' ' ' ARG . 8.4 tp10 -59.91 -45.16 93.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.999 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.427 HE21 ' CA ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -55.05 -41.07 70.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.774 179.225 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.25 90.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.552 ' HD3' HG12 ' A' ' 16' ' ' ILE . 50.6 ttp180 -74.5 -33.32 62.79 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -45.45 94.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.79 176.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.67 -46.46 84.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.115 178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -80.4 -10.02 59.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 111.198 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.47 -29.38 63.98 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 168.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.417 HE21 ' HB2' ' A' ' 54' ' ' GLN . 18.1 mt-30 -90.79 -13.19 34.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.991 -0.604 . . . . 0.0 109.929 174.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 56' ' ' GLU . 3.5 mm? 63.97 50.05 2.63 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.164 -175.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 55' ' ' LEU . 16.0 mm-40 68.59 117.82 0.03 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.203 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -80.06 -1.18 38.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.732 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 75.33 -46.42 0.58 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.309 -0.859 . . . . 0.0 111.086 176.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -121.32 133.17 55.11 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -149.14 53.84 0.97 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.671 0.748 . . . . 0.0 109.668 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -165.46 -51.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.964 -1.017 . . . . 0.0 108.719 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.6 m80 . . . . . 0 C--O 1.244 0.807 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.654 173.566 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.587 0.232 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -132.0 95.88 3.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 171.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.441 ' O ' ' HD1' ' A' ' 5' ' ' TRP . 52.3 mt -79.39 -178.45 6.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.939 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -81.26 108.35 14.82 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.407 0.623 . . . . 0.0 109.942 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.524 ' HA ' HG22 ' A' ' 40' ' ' VAL . 37.1 m95 -99.64 129.71 45.81 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.087 -178.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.5 p -78.29 158.84 28.75 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.1 t -60.12 -35.92 76.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.949 0.404 . . . . 0.0 110.021 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.541 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 2.2 mp0 -61.97 -46.33 89.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.708 176.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.417 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -63.69 -47.07 82.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.128 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 60.6 mtpt -57.78 -39.01 76.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.071 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.3 m -66.87 -40.54 87.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.402 . . . . 0.0 110.636 178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -62.8 -39.42 94.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.682 177.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD12 HD12 ' A' ' 16' ' ' ILE . 47.1 tp -63.01 -36.9 85.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.761 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 63.2 mttm -65.66 -26.96 68.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.961 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -82.29 -7.4 59.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.065 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.56 HD12 HD12 ' A' ' 13' ' ' LEU . 58.6 mt -84.14 132.28 48.41 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.755 174.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.24 148.23 71.63 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.876 2.384 . . . . 0.0 112.458 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -55.5 -34.36 64.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.593 -177.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -63.79 -19.53 65.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.69 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.35 8.68 8.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.659 0.266 . . . . 0.0 111.116 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 mmm-85 -59.63 -46.93 87.52 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.5 t -77.51 -41.04 40.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.852 0.358 . . . . 0.0 110.079 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -59.76 -45.06 93.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.75 -45.81 73.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.3 tttm -55.97 -46.68 78.57 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.744 0.307 . . . . 0.0 110.541 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.66 -42.5 88.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.718 177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.596 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 20.0 tpt180 -64.7 -51.6 61.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.711 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.502 HG21 HG22 ' A' ' 45' ' ' VAL . 62.6 mt -56.24 -51.75 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.611 -176.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 49.9 mt-10 -65.19 -32.28 73.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.876 -176.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 48.2 mt-30 -72.49 -35.47 68.18 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.667 174.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 96.3 mt -61.74 -31.77 71.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 110.343 175.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -68.62 -40.38 80.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.501 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 21.4 mtp-105 -64.4 -36.6 84.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.124 177.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 22.0 mt-30 -67.15 -26.51 66.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.105 0.479 . . . . 0.0 110.154 174.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.55 -1.35 57.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.131 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 71.2 23.73 4.01 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.617 0.573 . . . . 0.0 111.693 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -127.11 152.09 47.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.566 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -99.6 1.39 43.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.179 0.514 . . . . 0.0 110.021 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -108.57 131.61 58.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.496 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 5' ' ' TRP . 17.0 m -98.03 132.45 42.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.266 0.555 . . . . 0.0 109.713 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.4 p -94.18 159.63 33.76 Favored Pre-proline 0 C--N 1.316 -0.888 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.694 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.86 -25.55 69.9 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.094 1.862 . . . . 0.0 110.911 175.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.75 -54.65 44.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.287 175.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.4 -42.72 99.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.258 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.502 HG22 HG21 ' A' ' 28' ' ' ILE . 56.7 t -60.8 -47.68 92.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.84 -33.87 66.44 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.177 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.34 -48.09 81.67 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.45 -32.11 72.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.449 0.642 . . . . 0.0 110.321 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -75.06 -25.57 58.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.285 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 -48.67 12.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.518 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 15.5 pt-20 -64.85 -35.45 81.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.676 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 22.0 m-30 -69.68 -33.46 72.59 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.989 0.424 . . . . 0.0 109.927 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.41 -40.72 98.01 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.709 173.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -68.18 -31.67 71.37 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.566 0.222 . . . . 0.0 111.017 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 85.2 mt -68.89 -36.12 77.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.533 176.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 62.5 81.2 0.21 Allowed 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.94 0.775 . . . . 0.0 110.361 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.2 m80 66.77 177.96 0.23 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.546 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -158.38 84.12 0.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 111.524 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -166.1 -30.92 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.45 174.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -70.31 -10.25 58.45 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 70.11 154.67 0.13 Allowed 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.494 0.664 . . . . 0.0 112.389 172.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.3 p80 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.354 170.555 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptm . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.43 0.157 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -81.38 115.02 20.53 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.574 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 90.1 mt -88.81 179.22 6.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.144 -175.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.813 HH21 ' HB3' ' A' ' 38' ' ' ASP . 85.0 mtm180 -81.94 116.6 21.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.502 0.668 . . . . 0.0 111.134 178.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.576 ' HA ' HG22 ' A' ' 40' ' ' VAL . 41.6 m95 -98.48 127.59 44.47 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.524 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.0 p -68.03 157.69 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.332 -0.395 . . . . 0.0 109.979 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.7 m -57.14 -37.6 72.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.904 0.383 . . . . 0.0 110.99 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.45 -41.33 76.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.703 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.48 96.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.782 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HE2' ' O ' ' A' ' 5' ' ' TRP . 68.8 mttm -59.25 -45.9 89.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.806 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 m -64.75 -44.92 88.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.982 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -63.04 -35.56 80.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.591 HD12 HD12 ' A' ' 16' ' ' ILE . 53.4 tp -63.95 -38.27 90.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.721 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -64.93 -23.83 67.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -71.28 -24.23 62.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.16 0.505 . . . . 0.0 110.812 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.591 HD12 HD12 ' A' ' 13' ' ' LEU . 59.3 mt -75.89 130.42 78.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.084 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.11 133.84 42.09 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.878 2.385 . . . . 0.0 112.236 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -50.5 -38.34 43.66 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.457 0.473 . . . . 0.0 111.817 -176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -57.46 -27.78 62.78 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.493 -179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.82 -15.65 10.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -176.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.7 ttp85 -58.24 -46.64 85.58 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -174.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.7 m -60.31 -44.63 95.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.3 0.571 . . . . 0.0 110.696 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -69.35 -36.95 77.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.809 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.57 -38.59 84.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.53 178.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.8 tttm -56.56 -49.14 75.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.955 0.407 . . . . 0.0 110.275 177.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -32.7 69.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.931 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -73.11 -47.92 40.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.441 177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.544 ' HA ' HD12 ' A' ' 31' ' ' LEU . 83.4 mt -59.93 -47.35 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -69.6 -28.37 65.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.769 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -70.98 -35.17 72.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.011 0.434 . . . . 0.0 109.882 173.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 28' ' ' ILE . 69.0 mt -63.46 -39.64 95.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.101 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.33 -40.23 89.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.508 175.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -57.2 -42.59 81.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.922 0.391 . . . . 0.0 110.789 174.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.77 -38.58 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.556 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.47 -11.63 60.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.601 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 69.17 31.42 4.01 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.456 176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -126.37 162.12 26.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.668 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.813 ' HB3' HH21 ' A' ' 4' ' ' ARG . 9.9 t70 -101.78 -26.73 13.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.424 0.63 . . . . 0.0 110.161 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.41 120.73 39.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.477 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 5' ' ' TRP . 16.6 m -93.94 136.52 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.434 0.635 . . . . 0.0 110.767 178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.7 p -98.71 159.7 29.74 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.596 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.57 -21.46 62.35 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.283 1.988 . . . . 0.0 111.49 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.56 -50.65 73.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.509 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.91 -35.32 79.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.625 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.452 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 97.0 t -58.77 -54.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.919 177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.38 -38.74 92.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.085 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -52.52 62.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.598 -178.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.99 -32.05 73.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.027 0.441 . . . . 0.0 110.648 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -67.29 -34.86 78.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.484 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -65.06 -45.38 85.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.053 178.163 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 47.6 mt-10 -58.98 -48.58 81.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.042 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.431 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 63.0 m-85 -69.57 -17.26 63.54 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.026 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.69 -22.66 57.75 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.376 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 13.1 mm100 -91.76 -33.92 14.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.569 0.223 . . . . 0.0 110.864 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 97.7 mt -59.89 -68.61 0.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.624 178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -134.52 -161.71 1.18 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 58' ' ' HIS . 13.6 m80 68.55 98.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.634 0.584 . . . . 0.0 111.703 172.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 57' ' ' HIS . 19.7 m-70 73.8 -72.94 0.1 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.17 174.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.8 p80 40.44 48.33 2.42 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 122.233 1.015 . . . . 0.0 110.361 -169.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -144.17 130.24 19.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.377 -1.283 . . . . 0.0 109.215 -174.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -84.22 -179.23 7.16 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.448 -0.787 . . . . 0.0 108.893 175.148 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 2' ' ' ASN . 70.1 mtm . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 1' ' ' MET . 49.5 m-80 70.2 138.59 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 O-C-N 123.937 0.773 . . . . 0.0 110.081 -170.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.2 mt -96.71 177.89 5.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.358 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.463 ' HB2' HG12 ' A' ' 39' ' ' ILE . 47.4 mtt180 -82.85 115.96 21.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.234 0.54 . . . . 0.0 110.482 178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.493 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 43.3 m95 -98.19 129.39 44.95 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.967 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.408 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 54.5 p -75.98 165.24 25.25 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 177.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.2 m -58.26 -41.09 83.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -70.54 -37.61 74.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.813 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.62 -42.37 98.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.713 0.292 . . . . 0.0 110.877 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HE2' ' O ' ' A' ' 5' ' ' TRP . 64.0 mttm -57.17 -45.25 83.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.353 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -64.76 -43.03 94.62 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.16 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -61.05 -41.87 97.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.279 179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD12 HD12 ' A' ' 16' ' ' ILE . 49.3 tp -61.49 -38.27 86.7 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.89 0.376 . . . . 0.0 110.407 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -73.74 -8.3 55.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.743 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -90.33 -10.96 42.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.143 0.496 . . . . 0.0 110.523 177.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.47 HD12 HD12 ' A' ' 13' ' ' LEU . 63.4 mt -83.77 132.53 48.59 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.805 177.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.32 135.67 54.11 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.739 2.293 . . . . 0.0 112.069 179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -50.24 -39.47 44.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.971 -175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -61.45 -24.41 66.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.74 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.17 2.11 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -68.54 -45.41 72.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.593 0.235 . . . . 0.0 111.21 -174.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -62.11 -39.52 92.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.296 0.569 . . . . 0.0 110.145 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -67.35 -46.7 72.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.166 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.49 -44.11 97.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HA ' HD12 ' A' ' 28' ' ' ILE . 43.1 tttp -54.62 -43.32 72.15 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.248 0.342 . . . . 0.0 111.082 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.75 89.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.612 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.52 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 13.1 tpt180 -70.4 -41.02 73.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.655 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 24' ' ' ALA . 80.8 mt -56.91 -52.85 50.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.034 0.445 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.53 -22.88 63.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.512 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -70.59 -45.42 65.38 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 72.8 mt -59.46 -39.42 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.759 179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -64.19 -40.67 96.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.957 0.408 . . . . 0.0 110.804 177.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -65.84 -26.68 67.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.29 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -68.12 -35.66 78.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.981 0.42 . . . . 0.0 110.003 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.34 -5.53 59.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.75 178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 68.72 32.98 3.93 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.924 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -121.37 144.41 48.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.777 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.66 12.37 32.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.019 0.438 . . . . 0.0 110.094 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.463 HG12 ' HB2' ' A' ' 4' ' ' ARG . 63.7 mt -122.2 135.25 62.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.434 178.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' A' ' 5' ' ' TRP . 11.9 m -106.47 142.58 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.334 0.588 . . . . 0.0 110.358 178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.452 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 37.8 p -107.34 162.65 19.03 Favored Pre-proline 0 C--N 1.315 -0.904 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.572 176.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.3 Cg_endo -59.31 -24.26 73.54 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.185 1.923 . . . . 0.0 111.392 176.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.89 -49.08 77.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.843 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.21 -39.31 78.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.67 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.42 ' HA ' HG12 ' A' ' 28' ' ' ILE . 44.5 t -58.85 -46.18 91.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.178 177.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -58.47 -53.11 62.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.215 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.5 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 10.1 mm100 -55.92 -43.95 77.84 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.41 -179.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.28 88.43 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.836 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -67.31 -38.61 85.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -33.63 74.99 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 13.1 mm-40 -59.4 -46.59 88.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.056 0.455 . . . . 0.0 110.331 175.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' HA ' ' HB2' ' A' ' 55' ' ' LEU . 82.7 m-85 -79.83 -24.69 41.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.62 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.84 -34.91 91.15 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 174.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.488 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 12.5 mm-40 -78.43 -29.93 47.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.59 0.233 . . . . 0.0 110.583 176.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.494 ' HB2' ' HA ' ' A' ' 52' ' ' PHE . 1.1 mp -56.92 -29.86 63.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.097 0.475 . . . . 0.0 110.818 176.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -77.0 71.75 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.536 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -98.82 -67.05 0.86 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 171.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -153.57 100.0 2.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.932 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -98.78 117.59 33.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.22 0.533 . . . . 0.0 111.127 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -97.96 -26.99 14.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.385 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -100.38 134.67 42.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.595 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--O 1.245 0.833 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.728 178.541 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.509 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 42.9 m-80 60.46 95.02 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 111.036 -175.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.69 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 65.1 mt -86.64 178.72 6.96 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.674 -174.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -77.14 105.04 7.98 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.257 0.551 . . . . 0.0 110.532 176.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.597 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 52.5 m95 -86.09 124.97 33.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.296 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.5 p -71.31 155.74 40.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.8 m -56.45 -37.62 70.51 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.959 0.409 . . . . 0.0 111.038 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.16 -37.63 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.77 -43.61 88.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.326 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -58.91 -42.72 90.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.908 176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.6 m -66.97 -35.91 81.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.104 0.478 . . . . 0.0 110.73 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -71.68 -37.35 70.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.32 -41.74 98.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.887 0.375 . . . . 0.0 110.094 177.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -72.83 -14.33 61.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.97 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -76.91 -25.52 53.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.402 HG12 ' HD3' ' A' ' 49' ' ' ARG . 66.4 mt -80.38 134.38 55.15 Favored Pre-proline 0 N--CA 1.452 -0.331 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.814 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -50.78 137.29 42.71 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.056 2.504 . . . . 0.0 112.22 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -57.83 -25.26 60.39 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.96 0.409 . . . . 0.0 111.101 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -64.4 -30.39 71.43 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.191 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.95 7.39 9.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -71.58 -44.69 64.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.495 -174.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.1 t -67.4 -37.01 82.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.024 0.44 . . . . 0.0 109.848 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 6.1 tp-100 -62.26 -46.35 89.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.043 175.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.52 -42.7 99.69 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.845 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.597 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.9 tttm -53.92 -45.51 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.877 179.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.41 89.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.867 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 11.2 mmt85 -67.6 -49.59 62.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.495 179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.492 ' HA ' HD12 ' A' ' 31' ' ' LEU . 71.0 mt -57.92 -47.12 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.544 -176.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.509 ' OE2' ' HA ' ' A' ' 2' ' ' ASN . 56.5 mt-10 -70.95 -25.08 62.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.753 0.311 . . . . 0.0 110.801 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -68.81 -44.43 73.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 172.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 59.0 mt -59.31 -42.86 92.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.784 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.5 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -67.32 -41.6 85.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.36 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -68.11 -25.39 65.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.995 0.426 . . . . 0.0 110.572 176.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -72.49 -34.98 68.06 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.2 -3.65 55.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.048 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 70.13 25.98 4.57 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.125 174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -121.52 161.21 22.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.326 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.69 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 18.8 t70 -106.08 -14.41 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.265 0.555 . . . . 0.0 110.183 -178.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.4 mt -98.66 123.93 51.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.478 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 5' ' ' TRP . 13.3 m -97.72 135.54 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.175 0.512 . . . . 0.0 110.318 177.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.2 p -101.96 157.85 32.89 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.524 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.27 -27.9 77.23 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.578 2.185 . . . . 0.0 112.805 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -60.8 -44.0 97.42 Favored 'General case' 0 C--O 1.227 -0.123 0 CA-C-O 120.583 0.23 . . . . 0.0 110.704 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.47 -36.2 80.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.802 0.334 . . . . 0.0 110.703 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.438 HG22 HD13 ' A' ' 28' ' ' ILE . 48.4 t -65.29 -45.36 93.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.238 0.542 . . . . 0.0 110.089 176.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -43.57 98.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.112 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -54.36 -49.42 69.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.365 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -61.71 -35.59 78.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.047 0.451 . . . . 0.0 110.748 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.402 ' HD3' HG12 ' A' ' 16' ' ' ILE . 28.0 tpt85 -69.62 -36.49 76.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.003 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.49 -32.8 74.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.527 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 47.6 mm-40 -56.04 -47.38 77.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.18 0.514 . . . . 0.0 109.719 171.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -80.24 -2.94 47.15 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.944 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.9 -24.13 13.81 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.166 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -102.37 -35.78 8.69 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -177.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.9 mt -74.4 -87.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.287 0.565 . . . . 0.0 111.216 -176.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.35 175.27 5.53 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.9 m80 62.58 52.01 3.02 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -53.72 120.84 6.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.726 -174.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -67.86 142.12 56.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.936 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -128.75 138.8 52.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -73.71 144.78 45.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.132 0.491 . . . . 0.0 110.947 -176.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 C--O 1.246 0.871 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.725 175.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -69.5 157.63 36.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.152 0.501 . . . . 0.0 110.984 177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.9 mt -97.86 -179.41 4.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.815 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -87.46 120.13 28.45 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.404 0.621 . . . . 0.0 110.764 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.644 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 37.6 m95 -102.36 130.28 49.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.092 -175.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 35.4 p -70.19 157.47 37.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.564 175.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 22.7 t -59.13 -31.35 68.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.232 0.539 . . . . 0.0 110.097 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -70.06 -44.97 68.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.816 177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.25 96.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.091 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 6' ' ' THR . 63.3 mttm -55.9 -51.6 67.03 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.024 0.44 . . . . 0.0 110.311 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 m -64.12 -39.46 94.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.057 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -62.56 -39.59 94.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.342 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.608 HD12 HD12 ' A' ' 16' ' ' ILE . 55.8 tp -61.94 -37.13 83.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 179.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 91.3 mttt -68.94 -16.14 63.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.39 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -76.13 -27.05 56.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.156 0.503 . . . . 0.0 110.206 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.608 HD12 HD12 ' A' ' 13' ' ' LEU . 55.1 mt -72.77 130.07 85.89 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.643 179.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.89 138.87 69.73 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.949 2.433 . . . . 0.0 112.334 -178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -56.58 -25.27 52.0 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.322 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -63.19 -26.72 68.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.256 178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.01 12.01 4.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.72 -175.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -69.99 -49.15 54.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -172.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.4 m -68.95 -31.14 69.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.991 0.424 . . . . 0.0 110.352 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -68.46 -45.5 72.29 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -64.83 -42.98 94.52 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.6 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.644 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 88.3 tttt -53.94 -43.34 69.73 Favored 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.269 0.356 . . . . 0.0 110.579 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.0 93.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.165 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 24.6 ttm180 -70.12 -37.79 75.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.052 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 24' ' ' ALA . 82.4 mt -59.93 -49.88 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.792 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 50.3 mt-10 -67.68 -29.25 68.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.038 0.447 . . . . 0.0 110.201 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -65.26 -45.44 84.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.276 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 71.7 mt -61.3 -37.42 83.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.494 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.512 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -68.09 -30.42 69.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 11.1 mmm180 -67.0 -38.24 85.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.968 0.413 . . . . 0.0 110.055 175.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -72.67 -32.69 66.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.148 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.27 -14.09 60.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.084 175.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 61.5 57.64 2.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.707 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -148.81 158.26 44.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.412 178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -98.91 -14.14 19.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.768 0.318 . . . . 0.0 110.4 -178.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.6 mt -108.63 124.87 65.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.223 -176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 5' ' ' TRP . 19.4 m -93.45 137.68 22.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.421 0.629 . . . . 0.0 110.776 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.527 ' HB ' ' OE1' ' A' ' 43' ' ' GLU . 2.6 p -98.81 155.48 36.61 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.379 177.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.38 -31.54 77.82 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.822 2.348 . . . . 0.0 112.588 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.527 ' OE1' ' HB ' ' A' ' 41' ' ' THR . 5.1 mp0 -60.69 -40.93 94.01 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.5 mp -70.07 -34.84 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 110.33 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.461 HG13 HD13 ' A' ' 28' ' ' ILE . 62.1 t -63.98 -46.65 93.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.216 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.467 ' OE2' ' HD3' ' A' ' 49' ' ' ARG . 4.7 tp10 -64.21 -39.75 94.63 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.99 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.67 -52.58 55.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.812 179.713 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.4 74.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.978 0.418 . . . . 0.0 110.881 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' HD3' ' OE2' ' A' ' 46' ' ' GLU . 54.7 ttt180 -71.93 -36.22 69.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.216 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -42.16 95.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.436 176.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 42.5 mm-40 -52.49 -58.86 5.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.109 178.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' HA ' ' HB3' ' A' ' 55' ' ' LEU . 76.0 m-85 -65.84 -26.8 67.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.91 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.84 -17.75 75.51 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.767 176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -115.11 3.48 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.7 0.286 . . . . 0.0 111.016 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 52' ' ' PHE . 3.0 tm? -111.96 -38.08 4.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.45 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 55.84 -103.03 0.17 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.019 0.438 . . . . 0.0 110.106 -172.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -148.83 -53.37 0.17 Allowed 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 174.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -140.23 115.46 9.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.805 177.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -64.35 118.22 8.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.346 -177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -65.56 128.26 35.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.076 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -102.06 160.62 14.35 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.947 178.729 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 64.39 156.04 0.07 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.521 0.677 . . . . 0.0 111.286 -174.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.56 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 42.5 mt -92.95 178.94 5.6 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -80.29 110.78 16.05 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.674 0.75 . . . . 0.0 111.177 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.581 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 51.0 m95 -95.69 122.22 38.23 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.905 179.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.9 p -69.18 155.31 40.61 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.594 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.0 p -57.88 -34.39 69.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.273 0.558 . . . . 0.0 110.538 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -70.58 -39.67 73.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.438 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.25 -43.89 89.88 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.014 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 6' ' ' THR . 95.1 mttt -54.46 -45.3 73.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.565 175.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -62.49 -40.11 95.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.086 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -67.35 -39.47 85.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.064 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.64 HD12 HD12 ' A' ' 16' ' ' ILE . 29.9 tp -63.83 -32.11 73.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.144 0.497 . . . . 0.0 110.359 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -75.6 -6.87 52.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.344 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -88.69 -12.73 41.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.072 0.463 . . . . 0.0 110.229 175.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.64 HD12 HD12 ' A' ' 13' ' ' LEU . 45.0 mt -88.64 133.85 35.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.815 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.92 129.57 33.65 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.643 2.229 . . . . 0.0 111.678 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -51.67 -31.79 27.11 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -63.9 -35.89 82.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.387 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.9 6.18 16.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.968 0.414 . . . . 0.0 110.758 -176.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.542 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 20.7 ttm180 -67.99 -47.21 69.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.737 -175.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.453 ' HA ' ' HB3' ' A' ' 25' ' ' LYS . 26.3 m -69.37 -31.72 70.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.511 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.31 -50.05 71.56 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.913 175.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.5 -43.14 99.54 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.03 176.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 35.6 tttp -57.05 -41.01 77.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.561 179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 30' ' ' GLN . . . -61.28 -38.94 88.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.919 0.39 . . . . 0.0 110.723 176.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.496 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 35.9 ttt85 -72.58 -40.47 66.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.791 177.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.589 HG13 ' O ' ' A' ' 24' ' ' ALA . 80.7 mt -57.5 -52.33 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.037 0.446 . . . . 0.0 110.793 178.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 52.7 mt-10 -67.91 -25.06 65.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.63 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 26' ' ' ALA . 1.2 tp-100 -73.16 -41.2 64.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.211 176.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 39.7 mt -59.34 -43.69 92.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.311 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.25 -36.04 78.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.975 177.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.633 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 44.2 mtp180 -67.59 -32.95 74.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.939 177.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -69.64 -24.1 63.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.147 0.499 . . . . 0.0 109.992 176.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -91.22 -9.18 46.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.41 175.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 4.5 mm-40 62.13 44.67 7.68 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.354 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -132.95 148.83 52.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.645 175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.56 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 14.2 t70 -88.75 -21.3 23.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.478 0.656 . . . . 0.0 109.434 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 71.5 mt -90.86 122.9 42.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.805 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 5' ' ' TRP . 19.7 m -97.09 135.21 32.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.403 0.621 . . . . 0.0 110.129 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.454 ' HB ' ' OE1' ' A' ' 43' ' ' GLU . 26.5 p -98.0 154.38 37.78 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.097 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.505 ' HG2' ' OE2' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -58.46 -26.19 76.97 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 122.59 2.193 . . . . 0.0 112.124 179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.505 ' OE2' ' HG2' ' A' ' 42' ' ' PRO . 4.7 mp0 -59.38 -42.72 92.33 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.09 176.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 mp -70.15 -38.96 75.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.73 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.404 HG13 HD13 ' A' ' 28' ' ' ILE . 51.4 t -61.35 -49.96 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 110.388 178.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -63.72 -43.31 96.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.287 178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 60.5 tp60 -54.41 -50.28 67.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.43 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.423 ' HA ' ' CG ' ' A' ' 51' ' ' GLU . . . -62.8 -29.96 71.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.246 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -72.17 -30.93 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 50' ' ' LEU . 2.7 mm? -78.14 -32.37 50.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.605 176.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 9.7 mm-40 -52.85 -48.42 67.06 Favored 'General case' 0 C--O 1.224 -0.252 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -85.76 -21.9 27.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 -179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.07 -35.82 92.47 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.709 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -102.38 -10.16 19.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 174.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.5 tp 61.54 45.05 8.58 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.723 0.773 . . . . 0.0 109.194 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.821 ' HG3' ' H ' ' A' ' 57' ' ' HIS . 15.2 pt-20 38.9 -88.28 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 113.282 -1.781 . . . . 0.0 113.927 -175.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.821 ' H ' ' HG3' ' A' ' 56' ' ' GLU . 71.9 t60 64.55 16.42 10.27 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.491 0.662 . . . . 0.0 109.556 -176.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 47.79 58.14 5.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.294 -170.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -54.71 132.57 45.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.927 -175.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -81.4 17.81 1.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.659 -174.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.7 m170 63.77 -170.07 0.19 Allowed 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.26 0.35 . . . . 0.0 110.555 -175.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 119.218 -0.42 . . . . 0.0 109.923 176.342 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 121.098 0.475 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.498 ' HA ' ' OE2' ' A' ' 29' ' ' GLU . 3.2 p-10 -152.25 140.31 20.22 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 48.9 mt -93.93 -179.48 4.99 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.551 ' HD3' HG12 ' A' ' 39' ' ' ILE . 21.0 ttt180 -73.76 96.6 2.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.544 0.688 . . . . 0.0 110.319 176.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.669 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 53.8 m95 -82.3 123.52 29.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.499 178.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 20.9 p -68.06 155.27 39.91 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 175.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 m -57.95 -36.21 72.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.925 0.393 . . . . 0.0 111.263 -175.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -74.51 -36.64 63.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.115 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.81 -41.77 97.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.375 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 6' ' ' THR . 57.4 mtpt -58.44 -45.31 88.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.507 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.3 m -64.61 -42.15 95.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.563 178.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -60.88 -42.25 97.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.163 176.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.468 HD12 HD12 ' A' ' 16' ' ' ILE . 55.5 tp -60.5 -37.77 82.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.756 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -71.98 -8.2 53.13 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.332 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -95.66 2.31 54.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.091 0.472 . . . . 0.0 110.341 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.468 HD12 HD12 ' A' ' 13' ' ' LEU . 63.2 mt -96.34 132.16 27.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.592 173.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.77 141.3 28.21 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.212 2.608 . . . . 0.0 112.658 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -49.34 -47.59 47.19 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -57.81 -31.58 66.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.953 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.16 1.02 14.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.586 -176.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -66.85 -40.28 87.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.366 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.0 p -71.94 -40.89 68.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.737 177.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.37 -47.72 80.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.485 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.511 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.45 -42.91 99.8 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.693 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.669 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 59.8 tttm -52.25 -44.67 65.02 Favored 'General case' 0 C--O 1.231 0.082 0 O-C-N 123.235 0.334 . . . . 0.0 110.722 177.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 30' ' ' GLN . . . -60.32 -43.9 95.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.555 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.569 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 8.7 mmm180 -68.3 -39.49 82.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.608 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.523 HD13 HG22 ' A' ' 45' ' ' VAL . 87.2 mt -61.37 -47.17 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.202 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.498 ' OE2' ' HA ' ' A' ' 2' ' ' ASN . 82.2 mt-10 -67.68 -28.45 67.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.047 0.451 . . . . 0.0 110.557 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 15.9 mm100 -75.71 -34.57 60.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.571 175.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 98.0 mt -64.61 -34.58 78.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 174.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -67.14 -38.6 85.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.279 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.478 ' HA ' ' HD3' ' A' ' 33' ' ' ARG . 24.1 mmt180 -70.38 -25.35 63.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.846 176.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -76.84 -30.28 56.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.24 0.543 . . . . 0.0 109.604 174.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.22 -5.5 59.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.251 176.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 62.76 42.05 8.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.313 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -144.2 155.49 43.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.021 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 19.2 t70 -90.64 -23.19 20.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.409 0.623 . . . . 0.0 110.209 -177.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.551 HG12 ' HD3' ' A' ' 4' ' ' ARG . 37.5 mt -86.37 118.04 31.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.354 -177.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.654 HG22 ' HA ' ' A' ' 5' ' ' TRP . 3.8 m -92.7 138.79 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.9 p -104.67 161.84 21.61 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.213 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -58.73 -22.08 59.56 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.268 1.979 . . . . 0.0 111.664 175.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.42 -48.71 80.6 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.185 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mp -68.34 -40.94 81.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.906 -178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.523 HG22 HD13 ' A' ' 28' ' ' ILE . 31.6 t -63.16 -43.51 98.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 120.997 0.427 . . . . 0.0 110.339 178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -57.88 -52.99 63.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.357 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.593 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -53.19 -46.56 69.03 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.464 179.581 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.06 90.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.063 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HD3' HG12 ' A' ' 16' ' ' ILE . 42.9 ttp180 -74.07 -30.37 62.35 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.284 0.564 . . . . 0.0 109.568 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -42.36 88.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.461 177.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 18.2 mm-40 -54.12 -57.25 11.81 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.571 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -68.41 -27.55 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.839 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.06 -27.55 73.75 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.497 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 15.9 mm-40 -88.12 -32.22 18.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.357 . . . . 0.0 110.557 177.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 97.3 mt -65.97 -52.89 45.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.236 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 65.32 -67.96 0.12 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.037 0.835 . . . . 0.0 111.594 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -103.08 149.14 24.89 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.289 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -63.96 106.48 1.04 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.257 0.551 . . . . 0.0 110.394 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -66.35 -70.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.557 -172.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -109.52 -43.28 4.12 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.354 -176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 67.3 t60 69.04 -66.01 0.27 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.852 0.72 . . . . 0.0 111.118 -178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.76 177.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.943 0.401 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -163.82 147.75 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 mt -86.87 179.68 6.68 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.985 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -85.59 115.03 23.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.018 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.579 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 46.1 m95 -97.82 123.86 41.96 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.426 -177.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 p -68.78 152.65 45.04 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.8 t -59.24 -35.45 73.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.968 0.413 . . . . 0.0 110.291 -176.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.17 -35.91 74.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.748 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.0 -43.6 82.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.467 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -57.65 -41.74 82.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.553 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.5 m -61.74 -47.4 85.37 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.568 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -59.27 -42.2 90.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.298 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' HG ' ' NH1' ' A' ' 21' ' ' ARG . 47.8 tp -60.87 -34.68 74.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.003 -178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -76.82 -17.77 58.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.763 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -90.17 -6.2 55.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.943 0.401 . . . . 0.0 110.689 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.5 mt -82.46 132.17 53.28 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.865 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.57 145.91 56.25 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.203 2.602 . . . . 0.0 112.584 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.52 ' HA ' ' HG3' ' A' ' 21' ' ' ARG . 88.6 t80 -55.7 -38.01 69.13 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.626 -177.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -57.77 -32.45 67.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.97 -2.95 22.28 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.697 -177.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.52 ' HG3' ' HA ' ' A' ' 18' ' ' PHE . 6.6 mmm180 -53.35 -58.97 5.24 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.7 t -67.47 -37.5 82.99 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.981 0.419 . . . . 0.0 110.691 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -67.14 -44.15 80.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.759 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.23 -52.15 50.61 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.967 -178.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 59.8 tttm -52.35 -45.32 65.66 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.332 0.395 . . . . 0.0 110.805 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.615 ' O ' ' HG3' ' A' ' 30' ' ' GLN . . . -55.82 -51.19 68.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.759 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -69.26 -38.85 78.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.384 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 24' ' ' ALA . 97.6 mt -57.27 -47.88 83.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.971 0.415 . . . . 0.0 110.497 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 51.5 mt-10 -69.66 -26.1 64.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.615 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 25.4 mt-30 -72.67 -38.02 67.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.094 0.474 . . . . 0.0 109.834 173.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 28' ' ' ILE . 83.2 mt -62.48 -31.08 71.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.409 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.558 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -70.78 -37.05 73.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.42 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 50.2 mtt180 -64.75 -37.12 86.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.457 0.646 . . . . 0.0 109.456 174.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.14 -35.93 81.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.329 177.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.24 -4.78 59.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.783 177.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.52 57.81 2.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.818 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -153.45 156.54 38.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.552 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -83.91 -11.64 56.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.257 0.551 . . . . 0.0 110.101 -177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.1 mt -105.42 138.81 28.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.802 -173.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.579 HG22 ' HA ' ' A' ' 5' ' ' TRP . 13.3 m -104.69 134.84 44.96 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.2 p -101.19 155.96 35.72 Favored Pre-proline 0 C--N 1.315 -0.906 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.291 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.418 ' HG2' ' OE2' ' A' ' 43' ' ' GLU . 11.1 Cg_endo -56.75 -25.26 59.7 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.485 2.123 . . . . 0.0 112.18 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' OE2' ' HG2' ' A' ' 42' ' ' PRO . 2.9 mp0 -58.98 -46.91 86.95 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.796 0.331 . . . . 0.0 110.538 175.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.95 -35.79 79.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.783 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.43 -44.47 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.121 0.486 . . . . 0.0 109.835 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -61.18 -50.3 73.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.102 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -52.01 -54.35 30.97 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.411 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.1 -37.81 75.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.966 0.412 . . . . 0.0 110.621 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 49' ' ' ARG . 41.5 ttt-85 -65.94 -47.51 74.46 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.497 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -33.29 68.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.557 -177.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 18.8 mm-40 -53.96 -49.58 68.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.027 0.441 . . . . 0.0 110.343 175.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -72.61 -32.03 65.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.449 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.65 -24.12 73.97 Favored Glycine 0 C--N 1.333 0.394 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.384 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -87.66 -24.28 23.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.636 0.255 . . . . 0.0 110.712 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 94.8 mt -76.89 -96.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.604 178.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 44.18 -91.32 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.938 0.774 . . . . 0.0 111.749 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -91.73 88.17 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.215 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -88.61 35.59 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.271 0.558 . . . . 0.0 111.006 -172.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -130.83 -50.79 1.05 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.943 174.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.8 p80 40.79 66.75 0.59 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.178 0.924 . . . . 0.0 112.043 -177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -130.64 123.13 28.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.858 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.96 -179.309 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 66.79 99.13 0.05 OUTLIER 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.824 0.702 . . . . 0.0 109.274 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 38' ' ' ASP . 93.8 mt -71.98 169.32 16.17 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.602 -173.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.55 ' HD3' HG12 ' A' ' 39' ' ' ILE . 79.2 ttt180 -84.71 125.6 32.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.648 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.587 ' CZ2' ' HG3' ' A' ' 25' ' ' LYS . 51.3 m95 -103.83 128.22 51.28 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.502 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.6 p -72.99 167.95 20.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.562 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -37.72 74.73 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.942 0.401 . . . . 0.0 110.656 177.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -72.5 -40.82 66.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.958 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.81 94.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.977 -179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -61.36 -45.3 94.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.386 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.5 m -64.13 -46.2 85.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.732 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.481 ' HB3' HG11 ' A' ' 45' ' ' VAL . 58.1 mmtt -57.37 -45.15 84.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.449 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 tp -63.9 -35.01 79.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.041 0.448 . . . . 0.0 110.858 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -75.83 -21.82 56.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.181 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -81.19 -7.11 59.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.606 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.457 HG12 ' HD2' ' A' ' 49' ' ' ARG . 11.1 mt -91.23 128.54 46.9 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.799 176.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -40.77 134.72 2.31 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.671 2.914 . . . . 0.0 113.004 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -49.87 -46.75 51.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.021 -173.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -66.68 -19.03 65.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.863 -176.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.96 -3.16 15.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.657 0.265 . . . . 0.0 111.126 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -72.51 -42.01 65.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.194 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 m -61.98 -44.36 96.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.275 0.56 . . . . 0.0 110.04 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -66.69 -36.5 82.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.584 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -66.95 -44.43 80.61 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.761 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.0 tttm -56.63 -40.16 74.9 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.167 0.292 . . . . 0.0 110.814 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.27 97.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.014 0.435 . . . . 0.0 110.649 177.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.608 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -64.3 -47.22 80.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.392 177.31 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.523 HD13 HG22 ' A' ' 45' ' ' VAL . 88.9 mt -60.88 -51.18 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.967 -176.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -65.37 -29.23 69.93 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.914 -0.314 . . . . 0.0 110.611 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.49 -40.73 76.85 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 88.9 mt -64.31 -38.95 92.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.392 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -66.6 -36.49 82.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.805 177.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -66.77 -31.2 71.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.031 173.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -64.98 -41.33 95.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 174.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.5 -11.94 60.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.507 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 63.54 38.96 9.36 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.096 176.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -128.78 166.15 19.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.93 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.506 ' HA ' HD22 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -98.76 -12.61 20.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.874 0.368 . . . . 0.0 111.337 -176.7 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.55 HG12 ' HD3' ' A' ' 4' ' ' ARG . 45.9 mt -105.32 125.79 60.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.331 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' ' 5' ' ' TRP . 10.5 m -92.54 141.0 15.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.4 p -103.92 159.68 28.52 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.077 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.83 -25.25 75.7 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.259 1.972 . . . . 0.0 111.005 175.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -58.61 -47.96 82.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.683 175.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mp -69.24 -35.99 76.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.779 -178.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.523 HG22 HD13 ' A' ' 28' ' ' ILE . 42.3 t -63.65 -46.0 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 0.0 110.058 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -62.89 -44.06 97.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.76 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 53.9 tp60 -55.01 -47.27 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.698 178.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.93 -37.33 79.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.152 0.501 . . . . 0.0 110.931 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.506 ' HE ' ' HA ' ' A' ' 49' ' ' ARG . 1.5 tpm_? -68.9 -38.9 79.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.657 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.474 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.1 OUTLIER -64.42 -39.7 94.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.892 177.219 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 9.1 mm-40 -52.68 -51.68 59.21 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.237 178.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -74.86 -23.91 58.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.008 0.432 . . . . 0.0 110.741 -178.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.99 -52.02 45.69 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.948 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.665 ' HA ' ' HB2' ' A' ' 58' ' ' HIS . 26.8 pt20 -81.73 -12.59 58.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.983 0.421 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 9.5 tt -61.95 -47.2 85.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.524 177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -126.75 -78.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.347 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -87.44 75.37 9.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.491 0.663 . . . . 0.0 112.072 -171.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.665 ' HB2' ' HA ' ' A' ' 54' ' ' GLN . 10.0 t-160 -105.47 9.17 33.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -113.82 113.23 24.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.459 -1.246 . . . . 0.0 109.204 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -59.54 120.42 9.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.092 0.472 . . . . 0.0 110.862 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -86.93 -4.18 59.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.493 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.4 m170 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.437 -0.792 . . . . 0.0 108.917 172.037 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HG3' ' HD3' ' A' ' 33' ' ' ARG . 26.1 mmt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.793 0.33 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.7 t30 62.72 71.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.777 0.799 . . . . 0.0 109.788 -175.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 86.2 mt -82.41 -178.88 7.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.152 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' A' ' 4' ' ' ARG . 19.1 ttt-85 -74.14 101.76 4.04 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.596 ' HA ' HG22 ' A' ' 40' ' ' VAL . 50.3 m95 -82.18 124.4 29.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.483 179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.0 p -69.71 160.14 32.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.928 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -60.91 -36.37 79.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.473 0.654 . . . . 0.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.51 -39.95 77.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.839 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.45 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -61.85 -46.92 87.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.799 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 63.7 mttm -55.01 -44.94 75.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.797 175.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.7 m -65.64 -42.05 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -63.12 -38.0 89.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.836 0.35 . . . . 0.0 110.577 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.647 HD12 HD12 ' A' ' 16' ' ' ILE . 53.7 tp -64.43 -31.06 72.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.839 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 98.4 mttt -72.09 -13.66 61.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.086 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -83.11 -15.5 50.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.953 0.406 . . . . 0.0 110.514 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.647 HD12 HD12 ' A' ' 13' ' ' LEU . 67.4 mt -84.51 127.2 66.72 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.953 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.55 149.5 30.96 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.071 2.514 . . . . 0.0 112.698 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -56.05 -39.16 71.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.403 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -57.97 -27.95 63.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.474 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.23 9.14 13.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.326 -178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -59.12 -53.13 61.84 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -74.68 -29.45 61.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.859 0.361 . . . . 0.0 110.923 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -68.09 -51.22 48.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.353 -178.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.81 -41.06 99.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.489 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 65.5 tttm -54.11 -44.9 71.69 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.769 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.47 94.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.639 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 17.9 ttm180 -69.39 -38.86 78.17 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.28 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 24' ' ' ALA . 93.4 mt -59.01 -47.43 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.405 . . . . 0.0 110.897 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -71.18 -22.78 61.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.897 0.379 . . . . 0.0 110.781 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.12 -50.06 37.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 172.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 75.3 mt -57.42 -39.83 77.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.013 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.523 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -61.1 -44.69 96.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 177.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' HD3' ' HG3' ' A' ' 1' ' ' MET . 52.2 mtm180 -65.34 -36.22 83.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.979 0.419 . . . . 0.0 110.531 177.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.69 -35.61 81.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.98 -2.89 58.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.632 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 63.81 37.05 10.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.206 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -118.42 139.09 51.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.067 176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 7.2 m-20 -92.25 -12.39 32.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.892 0.853 . . . . 0.0 109.108 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -111.09 109.48 28.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.393 -1.276 . . . . 0.0 109.247 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 5' ' ' TRP . 18.4 m -77.2 128.12 38.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.691 0.758 . . . . 0.0 110.037 -176.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.5 p -89.99 154.34 47.41 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.14 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.82 -23.67 68.18 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.565 2.176 . . . . 0.0 111.681 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.76 -49.5 76.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.029 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -67.08 -36.71 82.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.206 -179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.45 HG21 ' HB1' ' A' ' 9' ' ' ALA . 61.4 t -64.16 -46.32 93.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.79 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -69.31 -38.4 78.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.227 178.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -54.42 -47.64 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.046 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.82 -30.59 71.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -66.43 -31.51 72.31 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 50' ' ' LEU . 3.3 mm? -82.0 -25.35 34.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.438 178.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -56.24 -51.88 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.414 0.626 . . . . 0.0 109.563 171.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -81.05 -20.24 42.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.823 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.22 -26.94 64.97 Favored Glycine 0 C--O 1.224 -0.489 0 CA-C-N 115.457 -0.792 . . . . 0.0 112.431 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -88.36 -32.67 18.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.735 -0.274 . . . . 0.0 110.685 176.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.82 -31.65 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.177 174.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 56.51 80.74 0.14 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.961 176.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -88.88 55.59 3.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.852 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -74.29 159.67 32.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.783 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -138.1 -176.83 4.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.736 0.303 . . . . 0.0 111.562 -175.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -66.2 113.74 4.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -169.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 32.3 m170 53.31 74.17 0.32 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.995 0.809 . . . . 0.0 112.528 173.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 12.1 t60 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.62 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 ttt . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 65.3 83.97 0.16 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.398 0.618 . . . . 0.0 110.269 -176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' HB3' ' O ' ' A' ' 38' ' ' ASP . 79.1 mt -79.2 179.52 7.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.741 -178.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' HB3' HD13 ' A' ' 39' ' ' ILE . 38.2 ttt180 -85.19 122.25 29.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.167 0.508 . . . . 0.0 110.398 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.581 ' HZ2' ' HG3' ' A' ' 25' ' ' LYS . 63.6 m95 -96.46 127.34 42.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.635 -178.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 23.1 p -66.95 158.67 30.25 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 171.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 p -56.91 -39.95 75.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.917 0.389 . . . . 0.0 110.956 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -67.13 -41.49 86.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.316 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.16 94.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.881 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 6' ' ' THR . 94.3 mttt -62.86 -42.19 99.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.932 0.396 . . . . 0.0 110.416 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.2 m -64.46 -45.16 88.62 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.502 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -63.64 -35.23 79.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.37 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.51 HD12 HD12 ' A' ' 16' ' ' ILE . 36.9 tp -63.94 -32.91 74.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.195 0.522 . . . . 0.0 109.841 177.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -73.52 -9.2 58.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.293 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.52 -23.55 42.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.017 0.437 . . . . 0.0 109.9 175.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.51 HD12 HD12 ' A' ' 13' ' ' LEU . 28.0 mt -83.45 128.16 65.37 Favored Pre-proline 0 C--O 1.235 0.327 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.862 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -52.6 142.39 49.76 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.959 2.439 . . . . 0.0 111.975 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -57.31 -27.74 62.44 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.552 -174.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.27 -32.26 73.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.389 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.1 -5.72 10.94 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -174.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -64.12 -43.64 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -173.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 t -71.03 -37.17 72.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.353 0.597 . . . . 0.0 110.175 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -69.14 -39.63 78.72 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.356 178.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.541 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -67.47 -39.11 85.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.448 176.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HG3' ' HZ2' ' A' ' 5' ' ' TRP . 57.0 tttm -57.61 -43.82 84.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.769 178.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.73 -39.36 84.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.982 0.42 . . . . 0.0 110.45 176.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.473 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 21.9 tpt180 -64.8 -44.65 89.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.379 176.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 24' ' ' ALA . 76.2 mt -59.76 -48.94 85.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -56.73 -39.58 74.2 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.646 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 21.9 tt0 -69.83 -39.89 76.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.399 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 89.6 mt -62.66 -38.62 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 178.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -65.95 -35.24 80.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.4 mtt85 -67.99 -29.18 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.527 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 21.6 mt-30 -76.08 -29.89 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.116 0.484 . . . . 0.0 110.151 176.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.01 -9.69 59.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.526 171.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 63.75 47.41 3.63 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.223 175.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -148.6 163.11 38.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.925 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 3' ' ' LEU . 26.7 m-20 -100.81 -0.69 36.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.072 0.463 . . . . 0.0 110.32 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.446 HD13 ' HB3' ' A' ' 4' ' ' ARG . 37.7 mm -100.32 123.38 53.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.726 179.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 5' ' ' TRP . 17.1 m -98.05 131.8 44.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.303 0.573 . . . . 0.0 110.074 175.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.447 ' HB ' ' HD2' ' A' ' 42' ' ' PRO . 30.7 p -95.63 162.1 25.45 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 176.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' A' ' 41' ' ' THR . 19.7 Cg_endo -58.1 -24.33 65.67 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.319 2.012 . . . . 0.0 111.316 177.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.18 -56.31 23.77 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.451 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 mp -61.95 -38.7 89.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.16 -47.94 91.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.547 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -71.92 -38.6 69.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.711 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 11.6 mm100 -54.86 -43.49 73.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.656 0.265 . . . . 0.0 110.508 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 51' ' ' GLU . . . -69.25 -32.03 70.96 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.702 178.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.506 ' HD3' HG12 ' A' ' 16' ' ' ILE . 24.6 ttp180 -68.05 -33.54 74.77 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' HA ' HD13 ' A' ' 50' ' ' LEU . 2.7 mm? -74.82 -28.26 60.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.018 176.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 48' ' ' ALA . 12.1 mm-40 -54.91 -51.85 64.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.671 0.748 . . . . 0.0 109.208 172.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' HE2' ' HA ' ' A' ' 24' ' ' ALA . 96.4 m-85 -81.1 -18.64 45.82 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.428 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.0 -33.78 56.72 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 174.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 50' ' ' LEU . 16.8 mm-40 -74.04 -27.58 61.0 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.325 0.583 . . . . 0.0 109.542 173.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.1 mt -86.66 -94.88 0.09 Allowed 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.51 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 57.36 12.35 1.4 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.305 0.574 . . . . 0.0 110.799 -170.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -144.62 158.41 43.78 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -69.33 138.16 53.52 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.721 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -59.41 -51.77 68.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.663 -176.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -155.15 -170.71 3.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -107.53 130.85 54.82 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 169.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.179 -176.6 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -87.36 131.81 34.16 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 175.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.23 -179.99 6.81 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -86.74 109.37 19.19 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.345 0.593 . . . . 0.0 110.433 -178.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.608 ' HA ' HG22 ' A' ' 40' ' ' VAL . 45.3 m95 -92.42 127.71 38.0 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.878 -177.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.5 p -72.9 153.48 40.99 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.3 m -59.36 -33.12 70.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.225 0.536 . . . . 0.0 110.135 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.36 -44.81 82.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.434 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -62.87 -45.38 92.81 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.938 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 64.0 mtpt -57.05 -40.14 76.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.076 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 m -67.34 -44.08 79.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.679 0.276 . . . . 0.0 110.538 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -57.72 -38.87 76.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.607 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.658 HD12 HD12 ' A' ' 16' ' ' ILE . 52.1 tp -64.76 -33.98 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.878 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 96.9 mttt -71.19 -17.1 62.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.821 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -82.68 -13.2 56.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.547 177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.658 HD12 HD12 ' A' ' 13' ' ' LEU . 56.6 mt -84.57 133.13 44.83 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.261 178.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -48.35 139.1 22.77 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.393 2.729 . . . . 0.0 112.815 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -48.11 -40.04 22.28 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -72.75 -45.34 59.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.737 0.303 . . . . 0.0 111.147 -176.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.92 -11.35 57.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.346 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 21' ' ' ARG . 24.9 ttp180 -62.17 -37.0 83.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.674 -176.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 t -71.52 -39.26 70.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.083 0.468 . . . . 0.0 110.104 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -70.15 -41.34 73.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.474 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.543 ' O ' HG13 ' A' ' 28' ' ' ILE . . . -62.8 -48.57 78.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.56 177.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' CZ2' ' A' ' 5' ' ' TRP . 64.7 tttm -51.84 -43.27 63.13 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.448 0.467 . . . . 0.0 110.71 179.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.72 -47.99 78.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.978 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 60.1 ttt180 -72.69 -35.86 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.189 -179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 24' ' ' ALA . 90.5 mt -59.12 -50.75 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.913 0.387 . . . . 0.0 110.984 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.16 -26.3 63.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.048 0.451 . . . . 0.0 110.568 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.507 HE21 ' CA ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -68.63 -41.4 79.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.07 174.228 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 27' ' ' ARG . 67.0 mt -60.56 -41.6 94.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.799 178.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.544 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -65.49 -35.27 80.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.131 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 33' ' ' ARG . 19.8 mtp180 -74.97 -26.16 59.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.205 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' ' 34' ' ' GLN . 1.0 OUTLIER -69.43 -30.55 68.51 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 173.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.0 -11.31 53.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.295 173.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 64.59 45.0 3.71 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.45 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -132.52 159.69 38.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.686 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.21 -15.56 31.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.849 0.357 . . . . 0.0 111.354 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 58.5 mt -101.49 132.33 47.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.746 -173.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.608 HG22 ' HA ' ' A' ' 5' ' ' TRP . 13.8 m -101.43 130.35 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.407 0.622 . . . . 0.0 109.361 173.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 34.8 p -94.33 159.11 34.63 Favored Pre-proline 0 C--N 1.314 -0.941 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.838 178.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.97 -23.64 52.89 Favored 'Trans proline' 0 CA--C 1.528 0.205 0 C-N-CA 122.409 2.073 . . . . 0.0 111.69 177.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.31 -55.59 32.83 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.928 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mp -64.6 -39.88 94.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.449 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.477 HG21 ' HB1' ' A' ' 9' ' ' ALA . 61.3 t -60.37 -48.4 88.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.038 0.447 . . . . 0.0 110.806 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -70.5 -40.99 73.23 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.039 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 60.9 tp60 -55.28 -47.84 74.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.419 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.51 -36.29 80.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.636 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -66.35 -36.35 82.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -71.65 -41.34 68.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.163 178.031 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 79.9 mm-40 -52.6 -51.69 58.74 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.641 176.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 24' ' ' ALA . 66.9 m-85 -70.54 -27.13 63.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -178.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.16 -19.41 72.08 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.018 -0.611 . . . . 0.0 111.734 175.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 50' ' ' LEU . 86.6 mt-30 -98.85 -26.56 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.91 0.386 . . . . 0.0 110.376 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 51' ' ' GLU . 87.5 mt -76.79 -40.76 47.06 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.238 -179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -78.4 155.69 29.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.028 0.442 . . . . 0.0 110.318 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -66.63 145.22 55.82 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 172.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -66.44 110.16 3.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.162 0.506 . . . . 0.0 109.904 -176.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -85.3 118.39 24.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.985 -169.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.6 t60 69.05 161.46 0.2 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.643 0.735 . . . . 0.0 112.831 165.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -49.13 128.02 15.63 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.264 170.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 . . . . . 0 C--N 1.315 -0.914 0 CA-C-O 118.493 -0.765 . . . . 0.0 110.067 -176.037 . . . . . . . . 0 0 . 1 stop_ save_