data_5iiv_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 5iiv _Structure_validation_residue.Date_analyzed 2017-03-10 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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -145.68 -55.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.347 0.118 . . . . 0.0 110.737 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.438 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 70.8 mtp -60.29 -28.43 68.08 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.47 -34.73 77.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.403 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -69.19 -38.0 78.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.222 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.92 -42.61 94.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 3' ' ' MET . 48.3 mt-10 -62.31 -37.83 87.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.99 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -77.77 -23.79 49.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.88 0.371 . . . . 0.0 110.683 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -77.42 -47.63 19.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.52 -39.58 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.09 -34.56 78.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.854 0.359 . . . . 0.0 110.134 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.0 -54.59 39.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HG ' ' HD3' ' A' ' 16' ' ' LYS . 6.9 mp -66.06 -29.45 69.79 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 2.9 tm? -59.74 -42.42 93.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 171.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -68.39 -37.63 80.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.733 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 29.6 mtpp -58.75 -55.65 32.32 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 121.311 -0.156 . . . . 0.0 111.214 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.466 ' ND2' ' HA ' ' A' ' 14' ' ' LEU . 7.7 p30 -69.66 -26.2 64.28 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.682 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -66.01 -51.24 60.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.838 0.351 . . . . 0.0 110.238 177.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 26.6 m-70 -70.28 -33.94 72.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.01 -36.25 79.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.696 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.78 -30.69 70.96 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.978 0.418 . . . . 0.0 110.206 176.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -66.89 -27.66 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.128 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 21.8 mm-40 -71.99 -40.77 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.019 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 33.2 t -59.66 -36.64 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 177.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.97 -25.59 62.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.499 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.2 ptt180 -76.39 -39.59 53.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 31' ' ' VAL . 10.6 mp -66.76 -26.29 66.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.008 175.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 34.3 mmtp -55.41 -39.38 70.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.627 0.251 . . . . 0.0 111.083 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -76.49 -30.86 57.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.793 0.33 . . . . 0.0 110.352 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.0 mt -69.79 -20.42 63.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.25 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 27' ' ' LEU . 58.8 t -94.06 -29.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.384 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.4 -34.92 8.26 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.585 -174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.1 -0.952 . . . . 0.0 109.849 -175.629 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.773 -0.531 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -145.47 -55.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.444 0.122 . . . . 0.0 110.809 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.446 ' O ' ' HG3' ' B' ' 7' ' ' GLU . 70.5 mtp -60.5 -28.36 68.31 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.51 -34.58 77.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.371 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -69.46 -37.87 77.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.185 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.95 -42.44 94.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.445 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 3' ' ' MET . 48.7 mt-10 -62.61 -37.49 86.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.027 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -78.28 -22.87 47.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.904 0.383 . . . . 0.0 110.802 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -78.12 -47.98 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.37 -39.6 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.781 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.05 -34.35 78.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.952 0.406 . . . . 0.0 110.214 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.35 -54.41 40.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.41 ' HG ' ' HD3' ' B' ' 16' ' ' LYS . 6.9 mp -66.05 -29.51 69.87 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.465 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 2.9 tm? -59.75 -42.4 93.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 171.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.9 m -68.58 -37.47 79.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.74 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.41 ' HD3' ' HG ' ' B' ' 13' ' ' LEU . 29.8 mtpp -58.71 -55.28 37.14 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 121.283 -0.167 . . . . 0.0 111.4 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' B' ' 14' ' ' LEU . 7.8 p30 -69.92 -26.42 64.14 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.569 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -65.82 -51.29 60.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.9 0.381 . . . . 0.0 110.289 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.404 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 27.0 m-70 -70.13 -34.01 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.612 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.05 -36.27 79.61 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.695 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.71 -30.7 71.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.016 0.436 . . . . 0.0 110.153 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -66.97 -27.6 67.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.111 176.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 21.4 mm-40 -71.75 -40.97 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.023 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' B' ' 28' ' ' LYS . 33.5 t -59.58 -36.67 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.224 0.535 . . . . 0.0 109.596 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.09 -25.09 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.605 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 16.2 ptt180 -76.96 -39.48 50.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.445 ' O ' HG22 ' B' ' 31' ' ' VAL . 10.5 mp -66.7 -26.56 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.048 175.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 34.4 mmtp -55.24 -39.34 69.61 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.724 0.297 . . . . 0.0 111.117 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -76.63 -30.96 57.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.361 . . . . 0.0 110.307 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.21 -20.87 63.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.445 HG22 ' O ' ' B' ' 27' ' ' LEU . 59.1 t -93.94 -29.33 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.529 176.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.5 -34.94 8.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.438 -174.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.243 0.731 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.972 -175.487 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 m 71.4 25.51 3.45 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.075 0.465 . . . . 0.0 110.193 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.3 -34.37 77.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.8 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.94 -35.44 74.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.882 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.503 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 93.5 mt-30 -74.17 -44.3 54.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.85 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.77 -43.57 98.6 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.673 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.54 -26.35 65.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.027 0.441 . . . . 0.0 110.63 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -30.68 43.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.837 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.7 mttm -64.88 -47.27 78.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.653 0.263 . . . . 0.0 110.927 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -65.83 -35.56 75.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.789 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -74.69 -34.1 62.58 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.783 0.325 . . . . 0.0 110.635 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.9 -57.57 12.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.829 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 6.5 mp -70.58 -23.84 62.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.2 tm? -61.04 -40.7 94.6 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 m -73.13 -34.39 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.984 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CB ' ' HA ' ' A' ' 13' ' ' LEU . 61.5 tttp -61.34 -55.0 36.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.18 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -68.23 -22.79 64.76 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 120.63 0.252 . . . . 0.0 110.624 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -64.79 -52.18 58.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.035 0.445 . . . . 0.0 110.307 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -67.61 -34.29 76.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 47.7 tp -71.0 -33.45 70.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.702 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.33 -37.84 83.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.052 0.454 . . . . 0.0 109.844 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 24.8 m-80 -67.43 -20.35 65.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.494 176.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 20' ' ' LEU . 11.0 tp10 -75.32 -39.8 59.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.216 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.425 HG23 HG23 ' B' ' 24' ' ' VAL . 18.1 t -67.08 -40.56 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.131 0.491 . . . . 0.0 109.936 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.45 95.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.034 -175.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 7.4 ptt180 -66.36 -41.02 90.09 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.402 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 11.0 mp -63.72 -35.99 82.38 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.748 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -56.13 -36.72 68.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.836 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -74.33 -34.06 63.34 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.15 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -68.44 -32.44 72.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.852 0.358 . . . . 0.0 110.435 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 27' ' ' LEU . 46.2 t -80.08 -28.69 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.05 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.03 -53.02 4.36 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.109 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.645 178.736 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m 70.72 25.47 4.04 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.271 0.558 . . . . 0.0 110.558 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.4 mmm -63.61 -34.37 77.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.627 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.56 -35.83 75.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.79 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.505 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 95.0 mt-30 -74.09 -44.24 54.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.792 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.87 -43.6 98.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.636 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.44 -26.65 65.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.004 0.431 . . . . 0.0 110.594 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.69 -30.86 46.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 178.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 68.7 mttm -64.82 -47.41 78.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.631 0.253 . . . . 0.0 110.877 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.83 -35.02 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.863 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -75.05 -33.98 61.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.38 . . . . 0.0 110.541 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.26 -57.77 11.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.811 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.442 ' HA ' ' CB ' ' B' ' 16' ' ' LYS . 6.5 mp -70.21 -23.95 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.397 -0.521 . . . . 0.0 112.347 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.421 ' C ' HD13 ' B' ' 14' ' ' LEU . 3.2 tm? -61.02 -40.69 94.55 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 18.3 m -73.14 -34.24 65.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.105 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.442 ' CB ' ' HA ' ' B' ' 13' ' ' LEU . 61.5 tttp -61.37 -55.15 34.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.181 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -68.22 -22.81 64.77 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-O 120.541 0.21 . . . . 0.0 110.609 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -64.71 -52.03 59.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.96 0.409 . . . . 0.0 110.267 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -67.8 -34.0 75.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.573 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.455 ' O ' ' HB3' ' B' ' 23' ' ' GLU . 48.3 tp -71.41 -33.43 69.44 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.65 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.22 -38.1 84.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.033 0.444 . . . . 0.0 109.932 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 23.5 m-80 -67.07 -20.4 65.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.517 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' B' ' 20' ' ' LEU . 11.2 tp10 -75.45 -39.84 58.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.143 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.425 HG23 HG23 ' A' ' 24' ' ' VAL . 17.7 t -66.97 -40.68 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.47 . . . . 0.0 109.9 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.49 94.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.1 -175.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 7.3 ptt180 -66.41 -40.9 89.87 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.325 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.554 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 11.0 mp -63.93 -35.77 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.703 176.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -56.08 -36.87 68.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 110.748 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -74.43 -34.1 63.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.108 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -68.4 -32.31 72.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.514 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.463 HG21 ' O ' ' B' ' 27' ' ' LEU . 46.1 t -80.16 -28.78 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.088 176.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.55 -53.68 4.26 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.08 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.74 179.352 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.934 -0.466 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t 63.2 36.8 11.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.503 0.668 . . . . 0.0 109.834 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -23.61 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.397 -177.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -66.49 -43.48 85.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 109.707 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.81 -35.02 64.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.82 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 tp -66.23 -41.88 89.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.146 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.48 -28.85 66.43 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.268 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.35 -24.42 64.81 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.839 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -58.89 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.076 0.465 . . . . 0.0 109.999 176.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.12 -48.02 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.276 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.57 -34.42 76.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.785 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.52 -56.03 21.83 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.192 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' B' ' 14' ' ' LEU . 2.3 mt -64.6 -34.62 78.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' C ' HD11 ' A' ' 14' ' ' LEU . 3.2 tm? -56.59 -39.54 73.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 m -72.1 -39.2 69.08 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.545 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -59.38 -51.83 68.22 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.582 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.15 -28.33 67.21 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.534 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -66.32 -44.91 82.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.013 0.435 . . . . 0.0 110.066 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -66.0 -46.26 78.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.852 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' O ' HG21 ' A' ' 24' ' ' VAL . 4.6 mm? -67.08 -35.25 79.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.019 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.0 -48.37 82.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -65.6 -24.2 67.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.126 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 34.3 tt0 -81.99 -32.88 30.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.205 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 20' ' ' LEU . 84.6 t -63.98 -44.22 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 109.813 173.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.505 ' O ' ' HE3' ' A' ' 29' ' ' LYS . . . -59.74 -41.53 91.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.562 -177.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 7.1 ptp180 -61.75 -43.71 98.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 110.185 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.643 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 18.7 mt -70.45 -39.01 74.58 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.355 178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -49.93 -44.86 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.234 0.334 . . . . 0.0 111.266 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HE3' ' O ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -76.44 -27.15 56.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.288 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 26' ' ' ARG . 6.5 mp -71.51 -36.49 71.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.567 0.222 . . . . 0.0 111.082 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 27' ' ' LEU . 28.7 t -77.56 -26.83 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.143 0.497 . . . . 0.0 109.897 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.77 -54.71 3.0 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.263 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.269 -177.313 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t 63.43 36.68 11.23 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.512 0.672 . . . . 0.0 109.802 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.79 -23.39 60.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.448 -177.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -66.74 -43.2 84.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.14 0.495 . . . . 0.0 109.708 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -74.2 -34.94 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.276 0.56 . . . . 0.0 109.843 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 44.5 tp -66.09 -42.0 89.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.159 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.43 -28.81 66.45 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.265 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -24.08 64.46 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 177.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -58.7 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.215 0.531 . . . . 0.0 109.969 176.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.26 -47.89 85.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.342 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.48 -34.73 77.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.829 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.26 -56.19 20.97 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.138 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 14' ' ' LEU . 2.3 mt -64.54 -34.4 78.16 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 13' ' ' LEU . 3.2 tm? -56.51 -39.76 73.88 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 172.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 18.6 m -72.2 -38.75 68.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.635 174.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -59.52 -51.78 68.39 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.596 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.28 -28.51 67.25 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.505 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -66.16 -44.96 82.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.146 0.498 . . . . 0.0 110.002 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -65.94 -45.96 79.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.976 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.47 ' O ' HG21 ' B' ' 24' ' ' VAL . 4.6 mm? -67.44 -35.09 78.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.063 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.26 -48.11 83.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.142 0.496 . . . . 0.0 109.701 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -65.87 -24.03 66.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.115 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 34.4 tt0 -82.15 -32.92 29.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.145 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.47 HG21 ' O ' ' B' ' 20' ' ' LEU . 83.9 t -63.97 -44.55 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.105 0.479 . . . . 0.0 109.775 173.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.505 ' O ' ' HE3' ' B' ' 29' ' ' LYS . . . -59.5 -41.41 89.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.474 -177.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 7.0 ptp180 -61.84 -43.84 98.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.105 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.643 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 19.0 mt -70.35 -38.85 74.9 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.292 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -50.06 -44.46 51.69 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.324 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.505 ' HE3' ' O ' ' B' ' 25' ' ' ALA . 0.0 OUTLIER -77.22 -26.75 53.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.272 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.575 HD12 ' O ' ' B' ' 26' ' ' ARG . 6.6 mp -71.35 -36.68 71.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.541 0.21 . . . . 0.0 111.047 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 27' ' ' LEU . 28.5 t -77.18 -27.67 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.076 0.465 . . . . 0.0 109.965 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.27 -54.32 3.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.345 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 117.888 -1.054 . . . . 0.0 110.354 -177.35 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -168.53 -54.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.467 0.175 . . . . 0.0 110.764 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.432 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 89.8 mmm -62.8 -51.34 67.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -175.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -64.93 -34.62 78.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.415 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -65.64 -35.98 82.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.287 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.43 -37.5 74.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 3' ' ' MET . 14.1 mm-40 -63.09 -36.64 84.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.154 0.502 . . . . 0.0 110.428 176.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -73.28 -22.41 60.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -71.18 -34.82 71.26 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.443 HG23 HG23 ' B' ' 10' ' ' VAL . 42.5 t -64.19 -48.51 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.433 0.635 . . . . 0.0 109.977 174.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.97 -26.17 64.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.887 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -56.14 -53.31 58.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 5.5 mp -72.83 -21.47 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.71 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 5.9 tt -66.58 -40.36 88.9 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 172.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -64.42 -34.12 77.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.487 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 57.7 tttp -59.87 -54.47 45.84 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.719 175.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.71 ' OD1' ' HA ' ' A' ' 14' ' ' LEU . 2.5 p-10 -70.98 -34.62 71.58 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.247 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -53.59 -52.05 61.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.382 . . . . 0.0 110.744 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.496 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 34.9 m170 -70.33 -35.87 73.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.157 0.503 . . . . 0.0 110.433 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.2 tp -65.47 -34.25 77.84 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.444 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.59 -30.82 71.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.972 0.415 . . . . 0.0 109.972 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -64.29 -26.07 68.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.171 175.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.66 -34.83 58.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.673 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.41 -39.33 76.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.228 0.537 . . . . 0.0 109.797 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.14 93.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.06 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -66.81 -43.44 83.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.877 0.37 . . . . 0.0 111.204 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.634 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 25.7 mt -68.16 -40.92 82.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.545 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -49.75 -51.47 38.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.149 0.28 . . . . 0.0 111.074 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HA ' ' N ' ' A' ' 33' ' ' GLU . 14.6 ptmm? -73.22 -20.67 60.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.741 -0.208 . . . . 0.0 111.471 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.09 -31.69 68.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.448 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 27' ' ' LEU . 16.7 t -86.46 -29.01 5.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.628 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.67 -1.37 0.07 OUTLIER Glycine 0 CA--C 1.522 0.48 0 C-N-CA 119.753 -1.213 . . . . 0.0 114.475 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' N ' ' HA ' ' A' ' 29' ' ' LYS . 45.6 tt0 . . . . . 0 C--O 1.25 1.089 0 CA-C-N 117.22 0.51 . . . . 0.0 111.499 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.686 -0.565 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.1 t -168.45 -54.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.432 0.158 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.446 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 90.0 mmm -63.09 -50.91 68.7 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -175.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.46 -34.56 78.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.983 0.421 . . . . 0.0 110.348 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.63 -35.88 82.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.322 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.5 -37.6 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' B' ' 3' ' ' MET . 15.1 mm-40 -63.1 -36.62 84.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.487 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -73.11 -22.9 60.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.694 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -70.72 -34.72 72.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.988 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.443 HG23 HG23 ' A' ' 10' ' ' VAL . 42.5 t -64.4 -48.38 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.86 174.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.28 -26.05 64.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.909 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -56.34 -52.71 63.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' B' ' 16' ' ' LYS . 5.5 mp -73.27 -21.51 60.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 178.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.705 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 5.9 tt -66.6 -40.42 88.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.693 -0.803 . . . . 0.0 108.868 172.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -64.18 -34.13 77.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.452 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' B' ' 13' ' ' LEU . 58.3 tttp -59.76 -54.87 41.31 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.525 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.705 ' OD1' ' HA ' ' B' ' 14' ' ' LEU . 2.4 p-10 -70.84 -34.3 71.53 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.22 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -53.7 -52.05 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.757 175.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.497 ' O ' ' HB2' ' B' ' 22' ' ' ASN . 34.9 m170 -70.48 -36.28 73.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.203 0.525 . . . . 0.0 110.331 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.06 -34.06 77.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.69 -30.67 71.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.0 0.429 . . . . 0.0 110.042 175.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 0.9 OUTLIER -64.62 -26.02 68.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.061 175.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.47 -34.62 58.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.613 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 20.0 t -70.76 -39.07 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.299 0.571 . . . . 0.0 109.845 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.98 92.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.113 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -66.96 -43.43 83.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.851 0.357 . . . . 0.0 111.206 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.634 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 24.9 mt -68.2 -40.83 82.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.533 177.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -49.71 -51.54 37.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.171 0.295 . . . . 0.0 111.069 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.423 ' HA ' ' N ' ' B' ' 33' ' ' GLU . 14.5 ptmm? -72.97 -20.73 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -178.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 28.9 mt -70.91 -31.89 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.431 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.553 HG23 ' O ' ' B' ' 27' ' ' LEU . 17.0 t -86.62 -28.52 5.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.82 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.04 -1.12 0.07 OUTLIER Glycine 0 CA--C 1.523 0.571 0 C-N-CA 119.946 -1.121 . . . . 0.0 114.436 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.423 ' N ' ' HA ' ' B' ' 29' ' ' LYS . 45.8 tt0 . . . . . 0 C--O 1.246 0.877 0 CA-C-N 117.191 0.496 . . . . 0.0 111.28 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -94.33 -6.54 44.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.669 -0.312 . . . . 0.0 111.059 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.524 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 27.0 ttt -63.35 -39.62 95.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.294 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.72 -35.25 79.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.403 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -66.85 -43.18 84.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.712 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.54 -25.64 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.459 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 3' ' ' MET . 41.3 mm-40 -61.52 -34.44 75.53 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 175.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.74 -37.41 67.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.18 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -61.61 -54.95 36.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.19 -37.17 78.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.35 -176.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.95 -34.55 64.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.689 0.281 . . . . 0.0 110.974 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.92 -56.14 25.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.756 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.62 -25.3 62.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.536 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 3.0 tm? -59.13 -41.68 88.84 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -69.65 -34.41 73.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.978 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.4 -53.51 53.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.536 ' OD1' ' HA ' ' A' ' 14' ' ' LEU . 2.4 p-10 -67.63 -26.01 66.02 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.45 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -63.99 -51.55 63.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.018 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -67.57 -32.96 74.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.641 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 1.4 mm? -66.88 -38.22 85.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.689 176.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.86 -43.24 99.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.473 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 13.3 m120 -62.36 -28.03 69.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.329 176.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' O ' HD13 ' A' ' 27' ' ' LEU . 12.9 tp10 -76.22 -36.79 58.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.529 -176.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.0 t -70.92 -40.29 76.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.985 0.421 . . . . 0.0 110.156 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.24 90.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.08 -175.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 13.4 ptm180 -67.72 -41.11 83.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.687 0.279 . . . . 0.0 111.334 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 23' ' ' GLU . 10.8 mp -64.33 -32.86 74.63 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.033 176.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -54.39 -38.27 65.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.666 0.27 . . . . 0.0 110.888 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 33' ' ' GLU . 82.2 tttt -72.62 -29.6 63.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.983 0.421 . . . . 0.0 111.056 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -73.44 -33.94 65.16 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.941 0.401 . . . . 0.0 110.034 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 27' ' ' LEU . 58.7 t -76.68 -31.86 20.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.35 31.05 0.07 OUTLIER Glycine 0 C--N 1.334 0.466 0 C-N-CA 119.629 -1.272 . . . . 0.0 114.258 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.49 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 42.1 mt-10 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.527 174.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 57.6 m -94.12 -6.69 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.648 -0.325 . . . . 0.0 111.127 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.521 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 27.3 ttt -62.97 -39.89 96.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.392 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.29 -35.41 80.27 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.624 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -66.56 -43.35 85.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.801 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.46 -25.59 68.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.371 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' B' ' 3' ' ' MET . 42.3 mm-40 -61.51 -34.3 75.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.0 0.429 . . . . 0.0 109.879 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.17 -37.32 66.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -61.42 -55.17 34.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.84 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.99 -37.17 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.373 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.16 -34.66 63.89 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.585 0.231 . . . . 0.0 110.972 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.4 -56.8 17.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.771 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.2 -25.29 63.35 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.536 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 3.0 tm? -59.29 -41.54 89.18 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 170.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -69.71 -34.52 74.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.887 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.37 -53.23 58.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.158 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.536 ' OD1' ' HA ' ' B' ' 14' ' ' LEU . 2.4 p-10 -67.93 -25.87 65.69 Favored 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.427 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -64.19 -51.51 63.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 0.0 110.003 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -67.73 -32.58 73.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.565 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.499 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 1.4 mm? -67.14 -38.11 84.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.11 -42.96 99.65 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 13.3 m120 -62.58 -27.71 69.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.236 176.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.526 ' O ' HD13 ' B' ' 27' ' ' LEU . 13.0 tp10 -76.41 -36.68 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.544 -176.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -71.07 -40.38 75.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.425 . . . . 0.0 110.229 176.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.38 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.057 -175.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 13.4 ptm180 -67.85 -41.12 83.4 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.59 0.233 . . . . 0.0 111.187 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.526 HD13 ' O ' ' B' ' 23' ' ' GLU . 10.8 mp -64.15 -33.08 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.096 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -54.1 -38.25 65.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.752 0.31 . . . . 0.0 110.938 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.484 ' HA ' ' CA ' ' B' ' 33' ' ' GLU . 82.0 tttt -72.75 -29.53 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -73.84 -33.54 64.16 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.983 0.42 . . . . 0.0 110.045 175.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 27' ' ' LEU . 57.4 t -76.9 -31.71 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.004 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.18 30.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 119.462 -1.352 . . . . 0.0 114.318 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.484 ' CA ' ' HA ' ' B' ' 29' ' ' LYS . 42.3 mt-10 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.203 -0.904 . . . . 0.0 111.613 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m 73.82 28.4 1.58 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.416 0.627 . . . . 0.0 110.509 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 ttt -64.22 -32.3 73.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.773 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.513 ' HB3' ' HZ2' ' A' ' 4' ' ' LYS . 8.3 ttpm? -64.38 -30.73 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.375 177.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 80.9 mm-40 -65.87 -39.05 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.118 178.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.76 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.576 176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.0 -41.7 92.66 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.097 0.475 . . . . 0.0 110.387 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -63.95 -41.87 97.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.692 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 97.1 mttt -63.86 -51.8 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.721 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.3 p -61.99 -37.32 78.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.239 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -74.37 -33.64 63.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.021 0.439 . . . . 0.0 110.541 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -59.63 -55.53 33.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.725 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.85 -30.77 71.03 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' C ' HD12 ' A' ' 14' ' ' LEU . 2.9 tm? -55.9 -39.81 72.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.412 0.625 . . . . 0.0 109.427 172.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -76.93 -36.36 56.63 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.615 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.44 -49.76 70.22 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.65 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.603 HD21 ' N ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -68.16 -19.95 64.84 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.936 0.398 . . . . 0.0 111.307 -179.064 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.603 ' N ' HD21 ' A' ' 17' ' ' ASN . 84.1 t80 -70.31 -40.87 73.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -70.42 -27.59 64.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.269 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.511 ' O ' HG22 ' A' ' 24' ' ' VAL . 7.3 mp -72.16 -35.4 69.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.51 175.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 52.0 mt-10 -61.01 -35.56 77.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 0.0 109.543 174.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -66.3 -33.61 76.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.451 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.78 -41.52 64.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.451 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 20' ' ' LEU . 42.5 t -61.73 -39.41 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.118 0.485 . . . . 0.0 109.95 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -70.85 -33.82 71.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.378 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -64.7 -37.33 87.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.319 0.581 . . . . 0.0 109.657 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.643 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 35.5 mt -74.77 -43.0 57.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.801 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 13.6 mmmm -45.51 -48.49 14.11 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.311 0.382 . . . . 0.0 110.836 174.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 25' ' ' ALA . 93.9 mttt -61.18 -40.07 92.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.277 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.75 -33.07 75.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.721 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 27' ' ' LEU . 17.7 t -79.91 -26.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.952 0.406 . . . . 0.0 110.51 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.01 39.1 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.608 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.247 179.3 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m 73.14 28.59 1.85 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.493 0.663 . . . . 0.0 110.624 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.3 ttt -64.3 -32.33 73.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.646 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.516 ' HB3' ' HZ2' ' B' ' 4' ' ' LYS . 8.3 ttpm? -64.27 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.373 177.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 81.0 mm-40 -65.71 -39.01 90.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.023 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.87 -37.78 88.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 176.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.32 -41.49 93.6 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.353 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -63.95 -41.86 97.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.666 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 96.9 mttt -64.07 -51.45 64.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.757 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 10.4 p -62.21 -37.36 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 120.545 0.212 . . . . 0.0 111.223 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -74.26 -33.85 63.43 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 110.473 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -59.43 -55.52 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.828 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.08 -30.64 70.73 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.416 HD12 ' C ' ' B' ' 14' ' ' LEU . 2.9 tm? -56.05 -39.57 72.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.376 0.608 . . . . 0.0 109.451 172.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 24.1 m -77.27 -36.2 54.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.664 176.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -64.36 -49.81 70.19 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.682 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.599 HD21 ' N ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -68.06 -19.98 64.92 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.918 0.39 . . . . 0.0 111.353 -179.085 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.599 ' N ' HD21 ' B' ' 17' ' ' ASN . 83.4 t80 -70.3 -40.91 73.96 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -70.35 -27.29 64.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.386 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.515 ' O ' HG22 ' B' ' 24' ' ' VAL . 7.3 mp -72.46 -35.22 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.568 175.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 51.7 mt-10 -60.99 -35.89 78.03 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -65.85 -34.12 77.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.514 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.38 -41.61 66.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.48 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.515 HG22 ' O ' ' B' ' 20' ' ' LEU . 43.0 t -61.84 -39.31 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.062 0.458 . . . . 0.0 109.956 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -70.93 -33.96 71.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.237 -178.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -64.65 -37.16 86.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.444 0.64 . . . . 0.0 109.687 -179.348 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.643 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 35.4 mt -75.01 -42.68 56.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.901 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 13.6 mmmm -45.8 -48.39 15.62 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.248 0.343 . . . . 0.0 110.753 174.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' B' ' 25' ' ' ALA . 93.8 mttt -61.3 -40.04 92.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.16 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.02 -32.76 74.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.714 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 27' ' ' LEU . 18.1 t -79.93 -26.54 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.977 0.417 . . . . 0.0 110.527 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.94 39.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.677 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.104 178.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 p -79.45 -49.21 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.723 0.297 . . . . 0.0 111.121 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.12 -31.17 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.001 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -65.63 -53.7 37.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.766 0.317 . . . . 0.0 110.582 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 48.6 mt-30 -66.0 -30.2 70.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.662 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.1 tp -69.48 -42.9 74.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.808 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.74 -39.19 93.21 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 120.84 0.352 . . . . 0.0 110.207 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.39 -38.38 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.204 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 62.5 mttp -60.51 -54.71 42.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.704 0.288 . . . . 0.0 111.493 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.69 -34.52 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.91 -43.44 83.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.693 0.282 . . . . 0.0 110.567 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' SER . 18.7 mm-40 -62.31 -34.01 75.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 175.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.13 -32.14 64.73 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.777 -0.577 . . . . 0.0 112.548 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.83 -46.38 89.72 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 167.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 50.2 m -52.79 -48.77 66.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.476 175.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -65.08 -53.51 44.5 Favored 'General case' 0 C--O 1.22 -0.463 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.692 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -54.14 -59.8 4.18 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -66.27 -40.25 89.99 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -174.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.519 ' HB2' ' O ' ' A' ' 15' ' ' SER . 26.0 m-70 -75.04 -27.43 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.231 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.3 tp -71.21 -36.22 71.82 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 174.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' HA ' HG11 ' A' ' 24' ' ' VAL . 32.0 tt0 -63.55 -31.8 73.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.225 175.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -61.94 -35.13 77.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.143 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -72.73 -38.58 67.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.798 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.513 HG12 HG12 ' B' ' 24' ' ' VAL . 0.6 OUTLIER -68.6 -31.54 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.378 0.609 . . . . 0.0 109.541 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.613 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . -63.8 -32.78 74.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.44 176.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.68 -52.1 62.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.703 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.614 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 14.4 mt -58.22 -41.17 83.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.683 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -52.63 -41.47 63.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.134 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 29.0 mmmt -72.04 -33.9 68.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.049 0.452 . . . . 0.0 110.459 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.86 -30.36 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.977 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 27' ' ' LEU . 96.3 t -68.44 -32.24 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.747 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.82 46.3 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 119.66 -1.257 . . . . 0.0 113.344 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.963 -0.541 . . . . 0.0 111.554 176.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.081 -0.408 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -79.36 -49.19 12.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.547 0.213 . . . . 0.0 111.131 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.11 -31.29 72.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.001 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -65.67 -53.49 40.52 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.594 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -66.06 -29.98 70.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 tp -69.87 -42.68 73.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.746 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.89 -39.17 93.12 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 120.865 0.364 . . . . 0.0 110.283 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.38 -38.39 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.234 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -60.48 -54.8 41.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.762 0.315 . . . . 0.0 111.506 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.49 -34.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.988 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.87 -43.36 83.73 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 110.635 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -62.54 -33.72 75.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 175.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.19 -32.12 64.62 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.88 -46.28 90.09 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 167.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' B' ' 19' ' ' HIS . 49.5 m -53.13 -48.12 68.14 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.623 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -65.47 -53.9 36.09 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.631 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -53.75 -59.81 4.14 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -176.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -66.35 -39.97 89.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' B' ' 15' ' ' SER . 25.8 m-70 -75.59 -26.96 58.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 111.27 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 65.3 tp -71.49 -35.93 70.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.487 ' HA ' HG11 ' B' ' 24' ' ' VAL . 31.9 tt0 -63.86 -31.83 73.14 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 176.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -62.0 -34.9 77.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.219 0.533 . . . . 0.0 110.117 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -72.76 -38.75 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.763 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.513 HG12 HG12 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -68.53 -31.71 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.31 0.576 . . . . 0.0 109.554 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.619 ' O ' ' HG2' ' B' ' 29' ' ' LYS . . . -63.71 -32.75 74.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.442 176.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -63.57 -51.99 62.99 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.614 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 14.5 mt -58.45 -41.12 84.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.623 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -52.45 -41.18 63.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.303 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' B' ' 25' ' ' ALA . 28.9 mmmt -72.52 -33.85 67.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.13 0.491 . . . . 0.0 110.549 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.79 -30.19 61.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.126 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 27' ' ' LEU . 96.2 t -68.68 -32.25 54.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.728 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.69 46.34 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 119.824 -1.179 . . . . 0.0 113.388 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.48 176.683 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.819 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -145.23 50.88 1.22 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.197 0.523 . . . . 0.0 110.298 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.434 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 27.9 ttt -62.61 -31.32 72.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.781 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -58.69 -46.64 86.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.586 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -63.93 -40.3 96.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.263 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.22 -34.88 79.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.285 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 3' ' ' MET . 31.3 mm-40 -59.7 -39.81 85.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.973 0.416 . . . . 0.0 110.807 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.15 -38.75 63.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.38 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -70.71 -43.48 68.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.138 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.15 -35.02 66.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.691 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -67.51 -39.04 85.12 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 9.0 tp10 -57.36 -51.5 69.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.495 176.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 6.5 mt -71.53 -31.48 67.1 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HA ' HD21 ' B' ' 13' ' ' LEU . 3.0 tm? -56.8 -43.87 81.38 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.3 p -77.01 -33.34 57.52 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.389 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 28.6 mtpp -59.1 -45.65 90.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.279 0.491 . . . . 0.0 110.585 173.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -52.14 -49.38 63.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.826 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -67.32 -39.63 85.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.759 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -57.47 -42.51 82.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.084 0.469 . . . . 0.0 110.548 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' O ' HG21 ' A' ' 24' ' ' VAL . 7.3 mp -78.28 -34.29 49.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.114 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -59.77 -39.6 85.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -63.06 -33.46 75.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.858 175.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -75.01 -33.61 61.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.069 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.563 HG21 ' O ' ' A' ' 20' ' ' LEU . 21.2 t -69.46 -38.19 76.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.031 0.443 . . . . 0.0 109.859 177.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.92 96.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.799 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.508 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 11.1 ptm180 -66.33 -46.68 76.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.643 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 16.0 mt -68.84 -37.54 79.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.335 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -52.64 -37.42 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.912 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -90.8 -9.24 47.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.19 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.4 mt -82.37 -31.52 29.7 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.907 -0.495 . . . . 0.0 109.665 173.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 27' ' ' LEU . 10.1 t -89.2 -26.44 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.068 175.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.55 -45.53 2.12 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.037 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.308 -178.428 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -145.84 51.08 1.17 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.263 0.554 . . . . 0.0 110.398 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.428 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 28.0 ttt -62.94 -31.34 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.697 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -58.6 -46.84 86.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.668 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.69 -40.44 96.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.243 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.98 -35.17 79.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.295 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' B' ' 3' ' ' MET . 31.1 mm-40 -59.33 -39.87 84.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 0.0 110.799 177.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.42 -38.12 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.416 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -71.03 -43.69 67.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.143 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.12 -35.1 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.619 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.34 -39.26 85.78 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.067 0.46 . . . . 0.0 109.785 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' B' ' 16' ' ' LYS . 9.0 tp10 -57.2 -51.21 70.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.585 176.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.417 ' HA ' ' HB2' ' B' ' 16' ' ' LYS . 6.5 mt -71.8 -31.63 66.76 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -56.62 -43.99 80.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 7.4 p -77.03 -33.38 57.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.32 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 12' ' ' GLU . 28.6 mtpp -58.98 -45.87 89.51 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.321 0.51 . . . . 0.0 110.444 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -52.01 -49.25 63.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.804 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -67.65 -39.41 84.59 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -57.67 -41.89 82.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.01 0.433 . . . . 0.0 110.733 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.565 ' O ' HG21 ' B' ' 24' ' ' VAL . 7.3 mp -78.88 -34.04 45.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.985 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.95 -39.55 85.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -63.03 -33.7 75.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.898 175.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.74 -33.68 62.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.122 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.565 HG21 ' O ' ' B' ' 20' ' ' LEU . 20.8 t -69.61 -37.56 74.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 109.832 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.84 95.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.861 -176.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 11.0 ptm180 -66.23 -47.07 75.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.525 -178.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.643 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 16.3 mt -68.49 -37.82 80.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.38 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -52.45 -37.29 56.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.083 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -91.03 -9.41 45.97 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.181 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 90.9 mt -82.08 -31.73 30.62 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.651 173.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 10.1 t -88.94 -26.36 5.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.98 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.05 -44.73 2.17 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.133 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.339 -178.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.416 ' HB2' ' SD ' ' B' ' 3' ' ' MET . 18.1 p -84.68 -52.91 5.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.236 -178.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.6 mtp -69.09 -27.62 65.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.018 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -58.77 -41.89 87.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -70.16 -45.24 67.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.741 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.493 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 4.5 mm? -69.79 -36.15 75.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.874 -176.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.66 -23.23 65.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.663 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.46 -34.73 47.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.227 176.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -67.7 -53.25 29.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.968 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.57 -40.87 89.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.268 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.31 -37.54 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.649 0.261 . . . . 0.0 110.332 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.41 -57.02 14.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -73.42 -21.04 60.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.9 tm? -60.38 -44.7 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -73.24 -43.56 60.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.116 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -58.83 -36.27 74.27 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.25 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -64.04 -47.81 78.73 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 120.57 0.224 . . . . 0.0 111.034 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -67.66 -33.63 75.32 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.092 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -66.3 -36.16 82.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.357 0.598 . . . . 0.0 109.902 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.0 tp -72.75 -30.56 64.25 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.226 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HA ' HG22 ' A' ' 24' ' ' VAL . 33.0 tt0 -66.68 -35.81 81.02 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -60.92 -31.48 71.0 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.984 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.535 ' HA ' ' HG3' ' A' ' 26' ' ' ARG . 42.8 tt0 -69.83 -39.09 76.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.741 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.522 HG23 HG23 ' B' ' 24' ' ' VAL . 1.9 t -65.64 -33.19 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.462 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . . . -66.43 -28.74 68.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.331 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.535 ' HG3' ' HA ' ' A' ' 23' ' ' GLU . 13.2 mtp180 -64.39 -52.52 57.81 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.512 HD21 ' N ' ' B' ' 28' ' ' LYS . 10.3 mp -62.63 -45.74 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.567 -172.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' N ' HD21 ' B' ' 27' ' ' LEU . 46.4 pttt -63.83 -25.4 68.15 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 119.987 -0.685 . . . . 0.0 112.121 -177.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.513 ' HZ2' ' HB2' ' A' ' 29' ' ' LYS . 10.6 mtmp? -66.38 -36.51 83.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.31 -33.97 67.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.58 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 27' ' ' LEU . 53.8 t -67.28 -27.38 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 121.081 0.467 . . . . 0.0 109.993 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.55 44.06 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.483 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.98 -0.533 . . . . 0.0 111.398 -179.55 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -84.68 -52.87 5.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.177 0.513 . . . . 0.0 110.227 -178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' ' 2' ' ' SER . 94.1 mtp -69.27 -27.68 65.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.992 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.68 -41.84 87.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.042 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -70.14 -45.43 66.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.737 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.493 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 4.5 mm? -69.47 -36.44 76.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.94 -176.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.4 -23.33 65.55 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.826 0.346 . . . . 0.0 110.702 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.38 -34.59 48.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.247 176.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -67.95 -53.17 28.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.802 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.66 -40.61 89.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.351 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -68.45 -37.62 80.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 0.0 110.461 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.07 -57.59 12.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.921 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -73.12 -20.93 60.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.407 ' C ' HD13 ' B' ' 14' ' ' LEU . 2.9 tm? -60.48 -44.67 95.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 170.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -73.14 -43.64 61.29 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.081 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -58.8 -36.23 74.13 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.246 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -64.11 -47.85 78.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.605 0.24 . . . . 0.0 110.993 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -67.49 -33.82 75.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.188 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -66.07 -36.29 82.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.272 0.558 . . . . 0.0 109.901 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 66.4 tp -72.72 -30.59 64.31 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.133 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.43 ' HA ' HG22 ' B' ' 24' ' ' VAL . 32.6 tt0 -66.59 -35.78 81.04 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 175.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -60.78 -31.91 71.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.942 174.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.535 ' HA ' ' HG3' ' B' ' 26' ' ' ARG . 42.9 tt0 -69.66 -39.25 77.14 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.696 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.522 HG23 HG23 ' A' ' 24' ' ' VAL . 1.9 t -65.31 -33.34 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.459 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . . . -66.33 -28.58 68.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.451 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.535 ' HG3' ' HA ' ' B' ' 23' ' ' GLU . 12.9 mtp180 -64.46 -52.4 58.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.494 HD21 ' N ' ' A' ' 28' ' ' LYS . 10.3 mp -62.66 -45.69 91.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.587 -172.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.512 ' N ' HD21 ' A' ' 27' ' ' LEU . 46.0 pttt -63.98 -25.12 67.99 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.975 -0.69 . . . . 0.0 112.167 -177.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.52 ' HB2' ' HZ2' ' B' ' 29' ' ' LYS . 10.6 mtmp? -66.99 -36.03 81.25 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.37 -33.81 67.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.586 175.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.44 HG22 ' O ' ' B' ' 27' ' ' LEU . 52.1 t -67.42 -27.47 38.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.958 0.409 . . . . 0.0 110.144 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.01 43.47 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.528 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 123.014 0.525 . . . . 0.0 111.429 -179.222 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 m -116.53 12.41 15.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.88 0.371 . . . . 0.0 110.675 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -70.13 -43.93 69.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.23 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -69.9 -32.64 71.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.641 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -62.37 -42.24 99.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.68 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.37 -35.23 65.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.596 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.93 -42.85 97.24 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.459 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.33 -26.52 64.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.028 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -79.96 -43.4 22.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.62 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.61 -34.8 63.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 110.376 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.02 -35.15 76.32 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.67 -48.63 78.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.852 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -33.57 72.78 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' C ' HD11 ' A' ' 14' ' ' LEU . 2.4 tm? -56.03 -42.16 76.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 170.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -63.74 -46.16 86.6 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.832 175.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -61.21 -45.34 94.96 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.397 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 36.1 t30 -54.49 -46.8 73.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.12 0.486 . . . . 0.0 110.309 174.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -60.45 -40.95 92.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.855 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.544 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 53.9 m170 -60.51 -49.19 78.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.328 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' O ' HG21 ' A' ' 24' ' ' VAL . 4.5 mm? -66.57 -33.88 76.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.761 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 42.0 mt-10 -59.96 -39.82 86.91 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.762 0.315 . . . . 0.0 110.489 175.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -65.24 -30.47 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.495 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 10.4 mm-40 -78.03 -41.03 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.167 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 20' ' ' LEU . 73.8 t -62.59 -40.15 87.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.065 0.46 . . . . 0.0 110.029 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.06 69.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.399 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.663 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 4.1 ptm180 -73.07 -43.44 61.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.265 0.555 . . . . 0.0 110.317 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.6 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 17.5 mt -74.31 -39.7 62.72 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.113 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -49.93 -43.33 49.76 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.116 0.26 . . . . 0.0 111.68 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 26' ' ' ARG . 58.9 pttt -78.47 -28.64 46.52 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.336 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 85.5 mt -67.11 -32.12 73.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.821 0.343 . . . . 0.0 110.595 177.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 27' ' ' LEU . 36.3 t -78.36 -23.5 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.453 0.644 . . . . 0.0 109.442 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.8 -54.38 4.94 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.847 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' HG2' ' OXT' ' A' ' 33' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.419 -0.801 . . . . 0.0 110.405 177.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -116.41 12.39 15.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.011 0.434 . . . . 0.0 110.846 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -70.0 -43.84 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.395 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -70.04 -32.3 70.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.78 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -62.73 -42.09 99.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.733 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.41 -35.37 65.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.612 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.9 -42.49 97.43 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.7 -26.14 64.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -80.23 -43.37 21.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.742 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.64 -34.69 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.331 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.13 -35.24 76.17 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.47 -48.62 78.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.992 174.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.75 -33.33 72.29 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 175.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.411 HD11 ' C ' ' B' ' 14' ' ' LEU . 2.5 tm? -56.23 -42.0 76.58 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.6 t -63.86 -45.98 87.02 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.725 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -61.32 -45.35 94.8 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.411 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' B' ' 21' ' ' GLU . 35.8 t30 -54.61 -46.74 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.03 0.443 . . . . 0.0 110.22 174.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -60.43 -41.09 93.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.843 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.55 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 53.4 m170 -60.46 -48.92 79.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.452 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.403 ' O ' HG21 ' B' ' 24' ' ' VAL . 4.5 mm? -66.72 -34.0 76.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 41.9 mt-10 -59.75 -40.33 87.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.924 0.393 . . . . 0.0 110.344 175.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -64.69 -30.42 71.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.572 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 10.4 mm-40 -78.33 -40.91 35.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.247 -178.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.403 HG21 ' O ' ' B' ' 20' ' ' LEU . 75.9 t -62.61 -40.15 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.121 0.486 . . . . 0.0 110.107 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.74 -30.12 69.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.437 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 4.2 ptm180 -73.1 -43.25 62.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.156 0.503 . . . . 0.0 110.239 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.6 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 17.2 mt -74.42 -39.5 62.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.163 -178.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -50.25 -42.86 52.69 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.168 0.292 . . . . 0.0 111.687 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' B' ' 26' ' ' ARG . 58.9 pttt -78.67 -29.07 45.46 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.26 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 85.3 mt -66.77 -32.14 73.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.352 . . . . 0.0 110.656 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.44 HG22 ' O ' ' B' ' 27' ' ' LEU . 35.4 t -78.26 -23.68 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.03 -54.17 4.94 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.996 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.423 ' HG2' ' OXT' ' B' ' 33' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.262 177.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.738 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 9.4 t -154.73 -63.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 mpp? 54.75 -170.75 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.475 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -80.01 -52.85 7.32 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.822 -0.549 . . . . 0.0 110.493 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -65.57 -34.61 78.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.738 ' HB3' ' O ' ' A' ' 2' ' ' SER . 3.1 tm? -85.94 -34.31 20.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.927 -175.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.54 -40.86 98.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 174.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.73 -29.0 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.735 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -70.12 -52.33 24.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.937 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.46 -35.63 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.33 -43.42 97.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.825 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -57.13 -53.82 53.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.055 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' HA ' ' HD3' ' A' ' 16' ' ' LYS . 1.2 mt -72.13 -22.9 61.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -174.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 pp -86.82 -16.75 35.22 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.977 172.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -72.85 -38.38 67.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 167.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 24.9 mtpp -53.13 -54.16 39.79 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 169.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -56.98 -41.92 79.26 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.631 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.21 -52.85 62.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.056 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 59.4 m-70 -70.86 -32.59 69.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp -65.27 -36.29 83.66 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.985 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.73 -30.37 71.48 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.305 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 15.7 m120 -64.76 -30.25 71.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.247 0.546 . . . . 0.0 109.98 176.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -78.03 -34.47 50.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.285 177.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.2 t -62.81 -41.77 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.18 87.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.445 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.6 ' O ' HD21 ' A' ' 30' ' ' LEU . 5.2 ptp180 -65.0 -40.67 95.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.138 0.494 . . . . 0.0 110.177 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.643 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 22.8 mt -73.26 -41.61 63.46 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.35 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -51.51 -42.37 61.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.61 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 19.9 pttp -77.82 -23.28 49.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.567 0.222 . . . . 0.0 111.154 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.6 HD21 ' O ' ' A' ' 26' ' ' ARG . 3.1 mm? -73.94 -37.62 64.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.625 0.25 . . . . 0.0 110.996 176.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 27' ' ' LEU . 17.9 t -78.54 -25.63 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.208 0.528 . . . . 0.0 110.037 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.66 -52.06 3.45 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.565 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.793 -178.256 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.733 ' O ' ' HB3' ' B' ' 6' ' ' LEU . 10.7 t -154.57 -63.81 0.13 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.1 mpp? 54.86 -170.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.608 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -80.36 -52.93 7.11 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.62 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.51 -34.52 78.46 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.733 ' HB3' ' O ' ' B' ' 2' ' ' SER . 3.1 tm? -85.97 -34.37 20.86 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.97 -175.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.44 -40.71 97.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.14 -28.24 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.864 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -71.11 -52.0 21.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.768 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.57 -35.59 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.051 0.453 . . . . 0.0 110.471 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.46 -43.34 97.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.901 175.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.14 -53.81 53.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.993 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.507 ' HA ' ' HD3' ' B' ' 16' ' ' LYS . 1.2 mt -72.21 -22.73 61.22 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -174.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.425 ' HB3' HD21 ' A' ' 13' ' ' LEU . 4.2 pp -86.82 -16.86 34.92 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.852 171.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 34.3 t -72.68 -38.58 67.55 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 167.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.507 ' HD3' ' HA ' ' B' ' 13' ' ' LEU . 24.9 mtpp -53.07 -54.02 41.71 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -57.1 -41.77 79.53 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.764 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.3 -52.88 61.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.914 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.452 ' O ' ' HB2' ' B' ' 22' ' ' ASN . 59.0 m-70 -70.92 -32.06 68.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.0 0.429 . . . . 0.0 110.765 -178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.68 -36.16 82.85 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.04 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.74 -30.41 71.51 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.291 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 15.8 m120 -65.06 -29.83 70.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.302 0.572 . . . . 0.0 109.994 176.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 0.9 OUTLIER -78.21 -34.42 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.238 177.659 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.91 -41.94 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.263 0.554 . . . . 0.0 109.529 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.12 87.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.394 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.6 ' O ' HD21 ' B' ' 30' ' ' LEU . 5.2 ptp180 -65.17 -40.55 94.44 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.23 0.538 . . . . 0.0 110.238 -177.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.643 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 22.3 mt -73.45 -41.65 62.94 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.303 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -51.4 -42.48 61.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.641 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' B' ' 26' ' ' ARG . 19.8 pttp -77.72 -23.26 49.45 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.6 HD21 ' O ' ' B' ' 26' ' ' ARG . 3.1 mm? -73.82 -37.86 64.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.709 0.29 . . . . 0.0 110.991 176.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 27' ' ' LEU . 17.7 t -78.28 -25.65 14.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.285 0.565 . . . . 0.0 110.11 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.64 -51.89 3.51 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.748 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.814 -178.152 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m 73.19 12.54 4.89 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.156 0.503 . . . . 0.0 110.816 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.3 mmt -66.72 -30.8 71.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.224 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.05 -51.47 67.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 5' ' ' GLN . 2.2 mp0 -66.87 -34.29 77.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 -176.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.75 -43.54 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.683 0.277 . . . . 0.0 110.836 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 44.4 mt-10 -67.19 -39.34 86.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.712 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.7 -26.23 66.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -70.4 -37.78 74.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.15 -44.42 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.033 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 6.8 mm-40 -64.61 -34.28 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.9 -54.42 47.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.524 173.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -68.85 -17.48 64.0 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.726 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 4.8 tt -72.28 -40.16 67.8 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 172.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -64.89 -36.2 83.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -56.94 -48.19 78.89 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.912 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.726 ' ND2' ' HA ' ' A' ' 14' ' ' LEU . 8.9 p30 -81.57 -33.21 31.77 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.289 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -55.5 -51.59 66.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.749 0.309 . . . . 0.0 111.068 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -69.59 -29.53 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.183 0.516 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.53 -29.89 65.29 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.855 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.99 -35.89 81.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.022 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -61.72 -29.66 70.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.305 0.574 . . . . 0.0 110.106 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -71.47 -39.37 70.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.511 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.5 t -69.66 -40.46 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.018 0.437 . . . . 0.0 109.989 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.91 97.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.004 -175.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.516 ' O ' HD11 ' A' ' 30' ' ' LEU . 1.5 ptm180 -65.65 -43.51 89.19 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 111.253 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.628 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 22.9 mt -70.35 -39.9 74.38 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.602 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -49.79 -47.19 51.31 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.281 0.363 . . . . 0.0 111.705 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -77.03 -24.8 52.04 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.516 HD11 ' O ' ' A' ' 26' ' ' ARG . 7.5 mp -75.24 -31.94 60.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.813 0.339 . . . . 0.0 110.815 178.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 27' ' ' LEU . 45.4 t -78.45 -24.53 13.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.293 0.568 . . . . 0.0 109.55 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.91 -54.58 3.84 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.027 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.553 -0.737 . . . . 0.0 110.23 179.397 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m 72.8 12.86 5.2 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.942 0.497 . . . . 0.0 110.764 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.3 mmt -66.73 -30.6 70.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.331 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.72 -51.04 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.761 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.424 ' H ' ' NE2' ' B' ' 5' ' ' GLN . 2.2 mp0 -66.61 -34.85 78.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.15 -176.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.69 -43.42 72.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 44.0 mt-10 -67.15 -39.58 86.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.659 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.45 -26.66 67.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.857 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -70.08 -37.78 75.55 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.26 -44.32 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.981 175.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 6.7 mm-40 -64.49 -34.73 78.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.493 178.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -57.48 -54.67 44.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.407 173.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -68.7 -17.5 64.08 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.724 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 4.8 tt -72.29 -39.86 67.98 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 172.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 28.6 t -65.28 -36.1 83.04 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -56.82 -48.63 77.55 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.814 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.724 ' ND2' ' HA ' ' B' ' 14' ' ' LEU . 8.8 p30 -81.37 -33.07 32.59 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.23 -178.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -55.7 -51.49 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.613 0.244 . . . . 0.0 111.071 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -69.16 -30.68 68.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.244 0.545 . . . . 0.0 110.567 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 37.6 tp -70.62 -30.05 66.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.859 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.95 -35.58 81.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.181 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -61.78 -29.76 70.36 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.202 0.525 . . . . 0.0 110.128 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.51 -39.55 70.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.372 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 16.9 t -69.58 -40.05 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.116 0.484 . . . . 0.0 109.989 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.93 97.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.027 -175.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.511 ' O ' HD11 ' B' ' 30' ' ' LEU . 1.5 ptm180 -65.73 -43.58 88.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.912 0.387 . . . . 0.0 111.187 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.628 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 22.8 mt -70.27 -40.1 74.56 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.535 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -49.37 -47.73 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.535 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -76.95 -24.38 52.37 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.511 HD11 ' O ' ' B' ' 26' ' ' ARG . 7.4 mp -75.6 -31.95 60.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 178.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.43 HG21 ' O ' ' B' ' 27' ' ' LEU . 44.2 t -78.58 -24.54 13.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.427 0.632 . . . . 0.0 109.496 174.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.57 -54.87 3.82 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.985 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.95 179.34 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.236 -0.346 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -77.15 -38.54 51.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.979 0.419 . . . . 0.0 110.008 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 44.2 tpp -62.77 -36.73 84.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.48 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -63.66 -41.85 98.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.326 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -64.85 -36.4 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.191 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.74 -42.2 77.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.644 0.259 . . . . 0.0 110.7 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -62.12 -35.39 78.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.048 0.451 . . . . 0.0 110.528 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.79 -30.8 51.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -70.73 -44.62 66.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.587 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.44 -31.79 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.014 0.435 . . . . 0.0 110.557 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -74.74 -37.02 62.61 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -56.14 -43.95 78.76 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.517 174.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 7.5 mp -73.1 -12.47 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 174.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.88 -36.31 49.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 p -74.12 -28.32 61.29 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.843 172.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 63.4 tttp -55.94 -46.26 78.57 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 168.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -61.82 -45.7 92.71 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.928 174.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -55.89 -42.34 75.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.462 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -65.62 -42.75 91.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 110.101 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp -68.86 -32.87 72.85 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.243 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.61 -36.29 83.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.23 176.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.84 -31.12 70.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.401 0.62 . . . . 0.0 110.181 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -74.29 -34.39 63.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.601 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t -68.79 -38.93 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.252 0.548 . . . . 0.0 109.731 176.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.66 -40.71 88.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.998 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.566 ' O ' HD13 ' A' ' 30' ' ' LEU . 10.8 ptp180 -63.59 -41.95 98.3 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-O 120.83 0.348 . . . . 0.0 110.819 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 23.4 mt -71.82 -41.44 68.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.681 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -49.68 -46.99 50.51 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.257 0.348 . . . . 0.0 111.395 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -76.69 -23.76 53.16 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 26' ' ' ARG . 6.8 mp -75.85 -33.96 60.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.703 0.287 . . . . 0.0 110.749 177.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 27' ' ' LEU . 43.2 t -75.73 -29.52 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.03 -50.03 5.34 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.051 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 123.006 0.522 . . . . 0.0 110.576 178.379 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -77.5 -38.56 48.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.085 0.469 . . . . 0.0 110.099 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 43.0 tpp -62.7 -36.65 83.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.479 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -63.78 -41.52 97.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.307 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -65.09 -36.49 84.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.068 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.66 -42.26 78.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.593 0.235 . . . . 0.0 110.763 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -62.13 -35.36 78.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.003 0.43 . . . . 0.0 110.6 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.86 -30.58 51.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -70.8 -44.77 65.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.526 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.25 -32.16 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.021 0.439 . . . . 0.0 110.584 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -74.59 -36.85 63.02 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -56.25 -44.12 79.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.462 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' B' ' 16' ' ' LYS . 7.5 mp -72.94 -12.42 60.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 174.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.92 -36.18 49.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -74.3 -28.2 61.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.818 172.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' B' ' 13' ' ' LEU . 63.4 tttp -55.99 -46.65 78.62 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 168.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.424 ' OD1' ' HG2' ' A' ' 16' ' ' LYS . 30.2 m-80 -61.4 -45.77 92.95 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.879 174.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -55.73 -42.18 74.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.523 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -66.03 -42.41 89.63 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.366 0.603 . . . . 0.0 110.09 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 50.3 tp -68.92 -33.07 73.14 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.135 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.68 -36.24 83.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.23 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.86 -31.01 70.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.152 0.501 . . . . 0.0 110.169 175.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -74.3 -34.59 63.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.602 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.61 -39.22 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.252 0.548 . . . . 0.0 109.673 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.5 89.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.018 -176.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.573 ' O ' HD13 ' B' ' 30' ' ' LEU . 10.7 ptp180 -63.82 -41.92 97.77 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.883 0.373 . . . . 0.0 110.794 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 23.7 mt -71.61 -41.65 68.63 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.64 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -49.59 -46.89 49.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.681 0.277 . . . . 0.0 111.48 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -76.81 -23.73 52.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.573 HD13 ' O ' ' B' ' 26' ' ' ARG . 6.8 mp -75.84 -34.21 60.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.75 0.31 . . . . 0.0 110.734 177.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 27' ' ' LEU . 44.9 t -75.72 -29.29 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 110.026 175.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.92 -50.25 5.28 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.85 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 122.983 0.513 . . . . 0.0 110.698 178.568 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.451 ' HG ' ' HB2' ' A' ' 5' ' ' GLN . 46.6 t 66.78 30.98 7.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 109.591 178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.507 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 14.2 tpt -63.95 -44.76 91.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.926 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -63.52 -37.14 86.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.364 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.451 ' HB2' ' HG ' ' A' ' 2' ' ' SER . 32.8 mm-40 -60.11 -45.11 94.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.733 177.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.47 -34.67 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.856 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 3' ' ' MET . 20.1 mm-40 -66.47 -39.14 88.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.711 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -73.66 -32.01 63.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.803 0.335 . . . . 0.0 110.544 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -61.94 -52.02 65.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.86 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.11 -35.41 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.054 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.88 -35.13 76.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.879 0.371 . . . . 0.0 110.382 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.83 -52.06 66.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.048 176.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.444 ' HG ' ' HD3' ' A' ' 16' ' ' LYS . 7.0 mp -66.72 -32.14 73.25 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.636 175.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.1 tm? -56.87 -40.0 75.35 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.4 m -68.57 -40.07 80.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.448 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 29.0 mtpp -60.69 -54.2 48.21 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.508 HD21 ' N ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -70.52 -17.98 62.95 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.106 -178.403 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' N ' HD21 ' A' ' 17' ' ' ASN . 68.8 t80 -76.16 -48.41 20.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.202 175.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.594 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 15.6 m-70 -64.36 -42.76 96.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.679 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.9 mm? -66.32 -33.4 75.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.823 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.24 -40.61 96.76 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -65.3 -29.04 69.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.57 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 50.6 mm-40 -72.59 -37.74 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.404 HG21 ' O ' ' A' ' 20' ' ' LEU . 15.5 t -70.93 -23.53 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 109.983 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.01 -31.12 39.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 109.862 172.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HG3' HD12 ' A' ' 27' ' ' LEU . 17.0 tpt180 -63.34 -56.16 18.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.955 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.508 ' O ' HG22 ' A' ' 31' ' ' VAL . 10.3 mp -65.19 -27.74 68.9 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.407 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -56.94 -38.47 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.38 . . . . 0.0 110.579 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -71.91 -33.42 68.28 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.623 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.7 -28.57 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.734 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 27' ' ' LEU . 55.0 t -77.95 -25.94 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.2 0.524 . . . . 0.0 109.993 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.96 -55.73 1.95 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.577 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.249 -177.341 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.451 ' HG ' ' HB2' ' B' ' 5' ' ' GLN . 46.6 t 66.92 31.3 7.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.54 0.686 . . . . 0.0 109.608 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' MET . . . . . 0.512 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 14.1 tpt -63.96 -44.96 91.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.944 -175.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -63.23 -37.15 86.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.451 ' HB2' ' HG ' ' B' ' 2' ' ' SER . 32.9 mm-40 -60.35 -44.87 95.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.639 178.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.61 -34.91 74.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.8 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' B' ' 3' ' ' MET . 19.2 mm-40 -66.29 -38.95 88.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.719 177.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.09 -31.39 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.583 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.45 -52.04 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.803 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.81 -35.86 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.07 -178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.52 -35.13 77.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.79 0.328 . . . . 0.0 110.422 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.97 -52.22 65.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.048 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.445 ' HG ' ' HD3' ' B' ' 16' ' ' LYS . 7.0 mp -66.42 -32.04 73.17 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.714 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.413 ' C ' HD13 ' B' ' 14' ' ' LEU . 3.1 tm? -57.03 -39.9 75.68 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 171.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -68.73 -39.96 80.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.431 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.445 ' HD3' ' HG ' ' B' ' 13' ' ' LEU . 29.0 mtpp -60.67 -54.3 47.03 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.509 HD21 ' N ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -70.59 -17.98 62.9 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.087 -178.322 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.509 ' N ' HD21 ' B' ' 17' ' ' ASN . 69.7 t80 -76.1 -48.31 21.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.182 175.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.598 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 15.4 m-70 -64.59 -42.64 95.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.687 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.9 mm? -66.28 -33.21 75.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.82 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -62.6 -40.35 96.63 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.183 0.516 . . . . 0.0 109.686 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -65.64 -28.65 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.602 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 48.0 mm-40 -72.78 -37.64 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.012 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.41 HG21 ' O ' ' B' ' 20' ' ' LEU . 15.5 t -71.12 -23.32 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.207 0.527 . . . . 0.0 109.962 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.29 -30.68 38.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.458 0.647 . . . . 0.0 109.862 172.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.507 ' HG3' HD12 ' B' ' 27' ' ' LEU . 16.7 tpt180 -63.67 -56.51 15.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.801 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.507 HD12 ' HG3' ' B' ' 26' ' ' ARG . 10.3 mp -64.98 -27.92 69.16 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.351 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -56.84 -38.47 72.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.579 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -72.06 -33.04 67.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.697 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.84 -28.34 66.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.009 0.433 . . . . 0.0 110.751 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.502 HG22 ' O ' ' B' ' 27' ' ' LEU . 55.3 t -78.27 -25.8 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.168 0.508 . . . . 0.0 109.979 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.03 -55.82 1.93 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.596 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.251 -177.424 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -147.43 -60.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.641 0.221 . . . . 0.0 110.549 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 34.3 tpp -57.24 -52.84 63.7 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.582 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -62.98 -37.99 89.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.047 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 28.0 mt-30 -70.44 -43.39 70.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.965 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -64.91 -37.07 86.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.122 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.18 -27.91 67.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 110.931 176.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.02 -29.34 55.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.535 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 34.1 mmtp -66.31 -44.06 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.708 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.81 -33.39 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.931 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.42 -38.34 63.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.857 0.36 . . . . 0.0 110.164 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.39 -51.06 71.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 4.1 mt -67.98 -29.04 67.97 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.91 -43.92 97.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 172.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.1 p -72.72 -33.03 66.15 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.226 176.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 53.1 mtpt -59.33 -52.27 66.37 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.347 174.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.5 -42.1 86.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.832 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -63.41 -47.27 82.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.997 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -69.93 -32.1 70.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.177 0.513 . . . . 0.0 110.526 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -72.77 -32.56 65.71 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.493 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.6 -32.91 74.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.218 0.532 . . . . 0.0 109.813 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -66.98 -27.37 67.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.286 174.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' O ' HD12 ' A' ' 27' ' ' LEU . 38.8 tt0 -76.25 -32.26 58.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.418 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.4 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 21.4 t -69.63 -37.34 74.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.17 92.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.634 -176.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -61.66 -41.79 98.03 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.395 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 23' ' ' GLU . 10.9 mp -62.01 -36.54 81.86 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.861 175.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 24' ' ' VAL . 56.4 mtpt -61.15 -27.84 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -74.05 -26.8 60.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.092 0.472 . . . . 0.0 110.409 175.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.46 -31.48 37.37 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.731 176.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 27' ' ' LEU . 27.9 t -86.44 -31.75 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.14 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.15 -41.17 0.2 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.487 -0.863 . . . . 0.0 113.388 -174.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 119.24 -0.41 . . . . 0.0 110.801 -178.2 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t -147.47 -60.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.707 0.253 . . . . 0.0 110.626 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 34.9 tpp -57.38 -52.77 64.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.599 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -63.24 -37.63 87.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 111.018 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.609 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 28.0 mt-30 -70.63 -43.37 69.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.879 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -65.0 -37.18 86.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.064 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.06 -28.26 68.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.011 0.434 . . . . 0.0 110.837 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.81 -29.06 55.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.557 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 34.1 mmtp -66.58 -43.94 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.823 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.93 -33.5 61.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.876 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.48 -37.94 63.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.694 0.283 . . . . 0.0 110.308 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.61 -51.22 70.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.433 ' HA ' ' HB2' ' B' ' 16' ' ' LYS . 4.1 mt -67.77 -29.32 68.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 177.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.72 -43.97 97.82 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 172.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.1 p -72.76 -33.07 66.08 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.321 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' B' ' 13' ' ' LEU . 53.1 mtpt -59.07 -52.41 65.88 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.243 174.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.47 -42.19 86.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.824 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.29 -47.37 82.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.968 0.413 . . . . 0.0 111.062 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.79 -32.38 70.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.129 0.49 . . . . 0.0 110.419 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.7 tp -72.68 -32.35 65.75 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.427 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.78 -32.95 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.172 0.511 . . . . 0.0 109.733 174.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -66.85 -27.41 67.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.283 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.516 ' O ' HD12 ' B' ' 27' ' ' LEU . 39.3 tt0 -76.22 -32.27 58.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.465 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.31 -37.71 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.48 93.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.655 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -61.43 -42.02 98.09 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.598 0.237 . . . . 0.0 111.291 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.516 HD12 ' O ' ' B' ' 23' ' ' GLU . 10.9 mp -61.91 -36.53 81.6 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.861 175.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -60.98 -28.32 68.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -73.91 -27.09 60.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.062 0.458 . . . . 0.0 110.286 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.72 -31.81 41.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 27' ' ' LEU . 28.5 t -86.15 -31.87 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.178 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.17 -40.99 0.2 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.506 -174.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 119.191 -0.433 . . . . 0.0 110.544 -178.118 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.756 -0.538 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m -124.47 -66.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.24 -158.39 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.706 0.802 . . . . 0.0 112.672 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -70.56 -34.64 72.46 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 -176.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -56.47 -58.69 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.189 -176.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 10' ' ' VAL . 4.3 mm? -63.63 -47.58 80.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -175.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.52 -38.9 82.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.37 . . . . 0.0 111.711 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -80.66 -8.91 59.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.894 -176.24 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HB3' ' HB ' ' B' ' 10' ' ' VAL . 14.3 mptt -100.58 -61.19 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.854 0.359 . . . . 0.0 111.757 173.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 6' ' ' LEU . 8.7 p -66.24 -40.17 86.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.161 -170.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.24 -33.91 32.51 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.262 0.553 . . . . 0.0 109.864 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 2.1 tm-20 -56.44 -51.54 68.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.689 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.523 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.3 mp -73.5 -9.99 59.25 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.67 -14.21 61.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -52.19 -44.9 64.92 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.309 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 13' ' ' LEU . 15.6 pttm -64.38 -12.9 47.37 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.483 ' HB2' ' HE3' ' B' ' 16' ' ' LYS . 33.5 t-20 -63.76 -46.36 85.62 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.5 0.667 . . . . 0.0 109.249 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -76.85 -39.93 49.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.927 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.534 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 64.4 m170 -62.3 -53.16 59.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.716 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 1.9 mm? -65.99 -34.28 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.997 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.66 -39.41 93.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.893 0.378 . . . . 0.0 110.137 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -67.01 -23.73 65.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.0 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 19.6 mm-40 -77.13 -46.69 22.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.68 -39.58 85.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.677 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 28' ' ' LYS . . . -69.72 -29.52 66.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.855 -177.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 18.6 ptt180 -70.56 -39.73 73.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.361 0.601 . . . . 0.0 109.908 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 3.8 mt -67.9 -31.9 72.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.168 176.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 42.5 mmtm -51.36 -42.5 61.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.981 0.42 . . . . 0.0 110.835 172.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -76.13 -23.09 54.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.404 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.1 mt -80.23 -37.78 32.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.697 0.284 . . . . 0.0 110.828 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.2 t -82.85 -30.74 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.03 0.443 . . . . 0.0 110.417 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.21 -45.3 4.14 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.557 -176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.665 -178.312 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -124.55 -66.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.52 -158.41 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.689 0.796 . . . . 0.0 112.615 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -70.37 -34.94 73.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.937 -176.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -56.51 -58.35 8.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.32 -175.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.511 ' O ' HG13 ' B' ' 10' ' ' VAL . 4.3 mm? -63.75 -47.46 80.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.63 -39.13 83.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.7 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -80.27 -9.06 59.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.442 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.436 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 14.3 mptt -100.65 -61.16 1.4 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.759 0.314 . . . . 0.0 111.672 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.511 HG13 ' O ' ' B' ' 6' ' ' LEU . 8.5 p -66.28 -40.08 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.226 -170.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.09 -34.51 32.59 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 109.651 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' B' ' 8' ' ' ASP . 2.3 tm-20 -56.22 -51.49 67.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.647 175.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.524 ' O ' ' HG2' ' B' ' 16' ' ' LYS . 4.3 mp -73.49 -10.0 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 175.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.47 -14.17 61.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.4 p -52.36 -44.68 65.37 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.234 174.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' B' ' 13' ' ' LEU . 15.6 pttm -64.56 -13.08 51.18 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.438 ' HB2' ' HE3' ' A' ' 16' ' ' LYS . 33.4 t-20 -63.6 -46.55 85.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.507 0.67 . . . . 0.0 109.202 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -76.67 -39.77 51.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.0 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.531 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 64.6 m170 -62.53 -53.22 57.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.614 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 1.9 mm? -65.87 -34.42 78.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.42 -39.49 93.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.974 0.416 . . . . 0.0 110.176 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -67.19 -23.31 65.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.032 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 19.5 mm-40 -77.38 -46.77 21.71 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 43.8 t -63.64 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' B' ' 28' ' ' LYS . . . -69.68 -29.2 66.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.933 -177.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 18.6 ptt180 -70.7 -39.8 73.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.263 0.554 . . . . 0.0 109.768 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 3.9 mt -67.86 -31.88 72.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.271 176.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' B' ' 25' ' ' ALA . 42.6 mmtm -51.12 -42.87 60.99 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.943 0.402 . . . . 0.0 110.751 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -75.94 -23.42 55.43 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.37 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -80.0 -37.75 33.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.726 0.298 . . . . 0.0 110.853 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 37.1 t -83.01 -30.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.368 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.26 -45.37 4.11 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.464 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.63 -178.259 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.659 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 23.1 t -138.4 -83.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.0 mtp 58.9 174.12 0.07 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.89 0.852 . . . . 0.0 112.818 174.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -70.43 -32.43 70.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.915 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -66.63 -47.02 73.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.24 -173.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.659 ' HB2' ' O ' ' A' ' 2' ' ' SER . 7.1 mp -70.31 -34.06 72.27 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.019 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.435 ' HG3' ' OE1' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -60.85 -46.38 90.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.201 177.637 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.453 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 13.2 m-20 -73.66 -20.11 60.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -98.28 -55.2 2.83 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.486 ' O ' HD22 ' A' ' 14' ' ' LEU . 60.9 t -67.48 -52.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.178 -175.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 45.9 mt-10 -68.65 -19.16 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.8 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 9.9 tp10 -59.94 -53.15 61.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.282 172.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.401 HD23 ' OD1' ' B' ' 17' ' ' ASN . 6.2 mp -67.89 -26.83 66.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 175.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -52.9 -48.38 67.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 110.431 173.655 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 p -76.39 -33.11 58.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -61.64 -52.02 66.07 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.872 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.577 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -78.38 -16.29 57.8 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.523 -178.775 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.489 ' N ' HD21 ' A' ' 17' ' ' ASN . 74.4 t80 -63.73 -55.99 19.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.708 0.289 . . . . 0.0 110.467 175.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -67.5 -35.8 79.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.453 0.644 . . . . 0.0 110.021 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.621 HD11 HD11 ' B' ' 20' ' ' LEU . 0.3 OUTLIER -52.33 -46.31 66.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.096 172.844 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' N ' HD12 ' A' ' 20' ' ' LEU . 43.6 mt-10 -67.3 -18.3 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.362 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -71.35 -32.99 69.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.401 0.62 . . . . 0.0 109.396 172.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 40.5 tt0 -75.25 -33.13 61.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.791 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.505 HG21 HG21 ' B' ' 24' ' ' VAL . 8.9 t -66.19 -35.43 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.43 -30.33 64.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.812 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -63.7 -43.65 95.97 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.248 0.547 . . . . 0.0 109.596 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.64 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 24.9 mt -72.59 -44.45 62.01 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.225 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -52.74 -42.84 65.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.606 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HA ' ' CA ' ' A' ' 33' ' ' GLU . 23.0 pttp -76.43 -24.34 53.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.452 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 65.6 mt -72.32 -31.38 65.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.917 0.389 . . . . 0.0 110.887 175.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 27' ' ' LEU . 17.2 t -84.69 -27.1 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -174.81 -30.65 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.567 -1.302 . . . . 0.0 114.284 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.593 ' CA ' ' HA ' ' A' ' 29' ' ' LYS . 38.6 tt0 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 117.239 0.519 . . . . 0.0 110.657 -173.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 112.348 -0.301 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.658 ' O ' ' HB2' ' B' ' 6' ' ' LEU . 22.6 t -138.03 -83.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 74.7 mtp 58.68 174.55 0.07 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.746 0.784 . . . . 0.0 112.943 174.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -70.9 -32.18 69.05 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.347 0.594 . . . . 0.0 109.922 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -66.54 -46.96 74.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.319 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.658 ' HB2' ' O ' ' B' ' 2' ' ' SER . 7.1 mp -70.57 -34.06 71.79 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.073 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . 0.425 ' HG3' ' OE1' ' B' ' 11' ' ' GLU . 0.4 OUTLIER -60.72 -46.58 89.87 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.106 177.566 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 11.7 m-20 -73.5 -20.22 60.73 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -175.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -98.19 -55.34 2.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.795 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.48 ' O ' HD22 ' B' ' 14' ' ' LEU . 60.9 t -67.26 -52.37 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.632 0.253 . . . . 0.0 111.267 -175.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' B' ' 14' ' ' LEU . 45.4 mt-10 -68.5 -19.66 64.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.788 0.328 . . . . 0.0 110.693 -177.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' B' ' 8' ' ' ASP . 10.1 tp10 -59.31 -53.31 59.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.232 172.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.77 -27.03 66.42 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' B' ' 11' ' ' GLU . 0.2 OUTLIER -52.75 -48.27 66.86 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.928 0.394 . . . . 0.0 110.466 173.546 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 4.3 p -76.54 -32.95 58.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -62.11 -51.4 68.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.965 179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.571 ' HA ' ' HB3' ' B' ' 20' ' ' LEU . 0.2 OUTLIER -78.58 -16.46 57.39 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.56 -179.099 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.496 ' N ' HD21 ' B' ' 17' ' ' ASN . 73.8 t80 -63.59 -56.13 18.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.746 0.308 . . . . 0.0 110.555 175.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -67.16 -36.05 80.99 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.411 0.624 . . . . 0.0 109.96 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.621 HD11 HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -52.23 -46.44 65.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.067 172.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.532 ' N ' HD12 ' B' ' 20' ' ' LEU . 43.6 mt-10 -67.15 -18.23 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.288 -176.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -71.57 -32.68 68.34 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.668 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 40.3 tt0 -75.7 -32.93 60.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.705 -178.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.505 HG21 HG21 ' A' ' 24' ' ' VAL . 8.7 t -66.26 -35.46 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.59 -29.99 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.752 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.668 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 0.3 OUTLIER -64.11 -43.4 95.42 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 121.355 0.598 . . . . 0.0 109.522 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.64 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 24.7 mt -72.67 -44.47 61.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.341 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -52.66 -42.69 64.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.567 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.592 ' HA ' ' CA ' ' B' ' 33' ' ' GLU . 22.9 pttp -76.61 -24.29 53.42 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.466 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 64.3 mt -72.45 -31.22 65.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.86 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.567 HG22 ' O ' ' B' ' 27' ' ' LEU . 17.4 t -84.39 -28.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.789 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.48 -30.71 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 119.643 -1.265 . . . . 0.0 114.242 -177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.592 ' CA ' ' HA ' ' B' ' 29' ' ' LYS . 38.1 tt0 . . . . . 0 C--O 1.247 0.945 0 CA-C-N 117.177 0.489 . . . . 0.0 110.863 -173.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m 74.48 12.21 3.91 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.415 0.626 . . . . 0.0 110.665 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.5 tpt -79.06 -52.53 8.08 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.866 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' HZ2' ' HB2' ' A' ' 4' ' ' LYS . 4.3 ttmp? -66.57 -46.52 75.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.844 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 1.5 mp0 -58.48 -46.09 87.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.249 -177.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 8.6 mp -68.71 -33.4 73.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.182 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -64.65 -38.06 89.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.93 0.395 . . . . 0.0 110.414 174.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.414 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 5.8 m-20 -68.86 -36.62 78.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 177.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.1 mttm -59.43 -61.25 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.433 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -56.73 -39.53 64.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.694 0.283 . . . . 0.0 110.815 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.03 -50.7 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.691 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 15' ' ' SER . 44.9 mt-10 -60.89 -46.85 88.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.151 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' CD2' ' HB3' ' B' ' 14' ' ' LEU . 6.4 mp -74.05 -14.25 60.97 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -177.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HA ' HD21 ' A' ' 17' ' ' ASN . 4.6 pp -88.28 -17.15 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.736 169.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 33.8 t -68.55 -46.07 70.47 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.686 171.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HE3' ' CG ' ' B' ' 17' ' ' ASN . 55.8 pttt -65.8 -19.8 66.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 119.861 -0.736 . . . . 0.0 111.477 176.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.522 HD21 ' HA ' ' A' ' 14' ' ' LEU . 8.6 m-80 -65.06 -38.58 91.27 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -65.55 -42.71 91.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.927 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -65.29 -38.38 90.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.236 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -43.4 98.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.452 174.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -64.87 -36.05 83.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.228 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -27.37 68.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.753 176.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 44.5 mt-10 -77.63 -40.53 41.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.042 177.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -67.82 -34.44 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.618 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -72.85 -37.3 67.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.437 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 6.8 ptp180 -68.88 -42.39 77.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.191 0.519 . . . . 0.0 110.654 -176.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.649 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 29.2 mt -65.49 -40.88 93.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.508 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -48.28 -41.43 27.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.044 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 33' ' ' GLU . 14.0 mptt -69.22 -40.98 77.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.911 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 26' ' ' ARG . 4.1 mm? -62.72 -35.01 78.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.416 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 27' ' ' LEU . 61.5 t -70.16 -28.91 37.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.839 0.352 . . . . 0.0 110.736 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.81 44.62 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.198 -1.001 . . . . 0.0 112.798 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 1.1 tm-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 119.071 -0.49 . . . . 0.0 110.511 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m 74.65 12.69 3.7 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.444 0.64 . . . . 0.0 110.671 175.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 17.8 tpt -79.18 -52.93 7.5 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.848 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.485 ' HZ2' ' HB2' ' B' ' 4' ' ' LYS . 4.3 ttmp? -66.24 -46.48 77.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.788 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.72 -46.01 88.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.295 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 8.6 mp -68.81 -33.25 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -64.83 -37.99 89.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 110.35 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 5.7 m-20 -68.6 -36.87 79.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.491 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.29 -61.34 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.165 0.291 . . . . 0.0 111.453 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.64 -39.6 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 0.0 110.787 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.84 -50.43 70.97 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.536 ' O ' ' HB3' ' B' ' 15' ' ' SER . 45.0 mt-10 -61.3 -46.95 88.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.037 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.42 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 6.4 mp -73.97 -14.44 61.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.523 ' HA ' HD21 ' B' ' 17' ' ' ASN . 4.6 pp -88.13 -17.11 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.728 169.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.536 ' HB3' ' O ' ' B' ' 12' ' ' GLU . 34.5 t -68.26 -46.4 70.52 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.614 171.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.411 ' HE3' ' CG ' ' A' ' 17' ' ' ASN . 56.6 pttt -65.87 -19.65 65.95 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.846 -0.742 . . . . 0.0 111.365 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . 0.523 HD21 ' HA ' ' B' ' 14' ' ' LEU . 8.6 m-80 -65.06 -38.68 91.6 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.725 0.298 . . . . 0.0 110.863 174.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -65.62 -42.7 91.26 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -65.3 -38.12 89.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.154 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -43.17 99.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.424 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -65.1 -36.03 83.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.215 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.18 -27.33 68.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 44.2 mt-10 -77.52 -40.74 41.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.092 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.9 t -67.79 -34.37 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.236 0.541 . . . . 0.0 110.642 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -37.59 67.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.488 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 6.6 ptp180 -68.66 -42.34 78.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.176 0.512 . . . . 0.0 110.784 -176.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.649 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 29.1 mt -65.6 -40.65 92.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.616 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -48.41 -41.09 28.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.052 176.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' B' ' 33' ' ' GLU . 13.8 mptt -69.77 -40.89 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.834 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.409 HD22 ' O ' ' B' ' 26' ' ' ARG . 4.1 mm? -62.39 -35.24 78.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.445 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.45 HG21 ' O ' ' B' ' 27' ' ' LEU . 61.1 t -70.33 -28.45 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.869 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.74 44.41 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.976 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.958 -0.544 . . . . 0.0 110.349 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 6.0 p -116.28 -59.58 1.96 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.784 0.326 . . . . 0.0 111.411 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -71.36 -26.55 62.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -174.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -58.89 -52.93 63.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.718 0.294 . . . . 0.0 111.789 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -98.01 -44.27 6.72 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.876 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 2' ' ' SER . 3.8 mm? -68.65 -46.36 69.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -65.72 -28.29 68.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 1.1 m-20 -70.56 -33.01 70.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.354 176.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -68.59 -38.08 80.36 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 6' ' ' LEU . 46.2 t -62.87 -49.51 83.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.942 173.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -56.98 -40.68 77.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.879 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 45.9 mt-10 -60.64 -50.53 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.603 176.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.3 -29.67 66.48 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.91 -40.29 94.84 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 171.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.3 t -62.43 -45.9 91.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.402 174.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -60.84 -48.38 82.06 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.05 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -51.41 -38.56 54.13 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.013 0.525 . . . . 0.0 111.342 177.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.74 -57.55 4.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.659 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.439 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 46.3 m80 -64.39 -33.76 76.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.258 -176.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 57.3 tp -73.88 -35.11 64.68 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.681 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.68 -33.83 75.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.206 0.527 . . . . 0.0 109.645 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -25.88 66.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.145 175.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.561 ' HA ' ' HG3' ' A' ' 26' ' ' ARG . 46.5 mt-10 -70.53 -42.45 71.21 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG23 HG23 ' B' ' 24' ' ' VAL . 4.8 t -63.43 -31.35 52.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.12 -24.9 58.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.74 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.561 ' HG3' ' HA ' ' A' ' 23' ' ' GLU . 82.4 mtt180 -62.64 -51.5 67.01 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.624 0.726 . . . . 0.0 109.268 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 31' ' ' VAL . 9.2 mp -68.02 -25.87 65.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.668 -176.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -53.74 -43.46 69.15 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.147 0.499 . . . . 0.0 110.397 174.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HB3' ' HZ2' ' A' ' 29' ' ' LYS . 8.1 mtpm? -70.01 -32.46 70.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.764 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -71.62 -33.56 69.08 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.218 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 27' ' ' LEU . 41.3 t -79.34 -27.49 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.183 0.516 . . . . 0.0 110.082 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.97 66.12 0.03 OUTLIER Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.805 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.732 171.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' B' ' 6' ' ' LEU . 5.4 p -116.88 -59.53 1.95 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.7 0.286 . . . . 0.0 111.397 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -71.48 -26.53 62.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -59.13 -52.35 66.09 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -98.33 -44.42 6.55 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' B' ' 2' ' ' SER . 3.8 mm? -68.7 -46.46 68.95 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -173.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.59 -28.38 69.1 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 1.1 m-20 -70.49 -33.02 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.323 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -68.65 -37.99 80.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 6' ' ' LEU . 45.6 t -62.73 -49.5 83.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.01 173.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -57.01 -40.94 77.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.813 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 46.0 mt-10 -60.34 -50.58 73.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.638 176.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.19 -29.69 66.61 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -40.68 95.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 171.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -62.21 -45.81 91.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.342 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -60.8 -48.34 82.25 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.073 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -51.56 -38.98 56.91 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.042 0.537 . . . . 0.0 111.323 177.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -69.28 -57.63 5.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . 0.437 ' O ' ' HG3' ' B' ' 23' ' ' GLU . 46.3 m80 -64.31 -33.75 76.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -176.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 57.3 tp -73.83 -35.12 64.8 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.638 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.406 ' N ' HD22 ' A' ' 20' ' ' LEU . 35.9 tt0 -67.87 -33.77 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.286 0.565 . . . . 0.0 109.651 176.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -25.93 67.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.16 175.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.563 ' HA ' ' HG3' ' B' ' 26' ' ' ARG . 45.6 mt-10 -70.48 -42.3 71.58 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.04 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.464 HG23 HG23 ' A' ' 24' ' ' VAL . 4.8 t -63.43 -31.45 52.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.03 -24.93 58.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.752 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.563 ' HG3' ' HA ' ' B' ' 23' ' ' GLU . 82.2 mtt180 -62.35 -52.18 64.67 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.757 0.789 . . . . 0.0 109.191 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.586 ' O ' HG23 ' B' ' 31' ' ' VAL . 9.1 mp -67.37 -26.14 66.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.703 -176.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -53.62 -43.15 68.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.108 0.48 . . . . 0.0 110.384 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.448 ' HZ2' ' HB3' ' B' ' 29' ' ' LYS . 8.1 mtpm? -70.62 -31.89 69.02 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.72 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.99 -33.56 68.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.123 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 27' ' ' LEU . 41.4 t -79.39 -27.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.078 0.466 . . . . 0.0 110.186 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.69 66.47 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.533 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.933 170.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 m -78.35 -31.67 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.729 0.3 . . . . 0.0 111.056 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.5 mmt -57.71 -35.91 71.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.793 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -52.36 -57.85 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.367 0.417 . . . . 0.0 111.147 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.16 -32.62 63.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.748 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.28 -37.66 83.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -35.0 78.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.916 0.389 . . . . 0.0 110.379 175.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 12.8 m-20 -70.62 -31.66 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.488 176.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 88.6 tttt -61.34 -46.55 89.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.427 HG22 HG22 ' B' ' 10' ' ' VAL . 59.2 t -62.08 -40.53 87.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.012 0.434 . . . . 0.0 110.376 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 47.3 mt-10 -64.82 -34.72 79.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.54 177.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 15.8 mm-40 -57.3 -48.12 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 173.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.62 -22.58 66.11 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 2.8 mt -60.36 -42.85 96.62 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.041 171.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.1 p -65.51 -36.87 85.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.299 -0.561 . . . . 0.0 109.565 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -57.84 -49.01 78.09 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.507 171.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -57.86 -56.54 20.68 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.033 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -63.36 -39.36 94.31 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -63.79 -45.78 88.16 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.465 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.567 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.5 mm? -67.81 -35.4 78.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.754 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.07 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.117 0.484 . . . . 0.0 110.312 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -71.38 -24.17 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.557 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' O ' HD13 ' A' ' 27' ' ' LEU . 10.2 tp10 -74.8 -39.94 61.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.734 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -70.61 -37.54 70.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.4 177.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.82 97.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.876 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 11.6 ptm180 -66.85 -44.32 81.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.303 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.571 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 10.9 mp -64.93 -34.45 78.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.861 177.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -55.56 -39.3 70.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.973 0.416 . . . . 0.0 110.457 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -79.42 -24.76 42.28 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.1 mt -72.83 -34.1 66.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.825 0.345 . . . . 0.0 110.183 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 27' ' ' LEU . 60.7 t -75.08 -28.16 20.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.127 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.27 -43.92 6.09 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.473 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.506 -179.586 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.7 m -77.84 -31.76 51.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.628 0.252 . . . . 0.0 111.047 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.4 mmt -57.7 -35.77 71.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.688 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -52.63 -57.71 9.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.411 . . . . 0.0 111.019 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.38 -32.55 62.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.8 tp -67.12 -37.66 84.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.899 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.79 -34.62 77.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.334 175.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.438 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 12.3 m-20 -70.99 -31.71 68.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.303 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 88.5 tttt -61.29 -46.62 89.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.724 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . 0.427 HG22 HG22 ' A' ' 10' ' ' VAL . 59.1 t -62.01 -40.28 86.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.025 0.441 . . . . 0.0 110.415 177.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' B' ' 14' ' ' LEU . 47.8 mt-10 -64.9 -35.12 80.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.4 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' B' ' 9' ' ' LYS . 15.7 mm-40 -56.84 -48.1 78.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 173.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.82 -22.41 66.01 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.354 -0.539 . . . . 0.0 112.387 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' B' ' 11' ' ' GLU . 2.8 mt -60.52 -42.81 97.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.566 -0.453 . . . . 0.0 109.966 172.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 84.7 p -65.49 -36.84 85.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.585 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -57.97 -48.92 78.55 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.463 171.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -57.93 -56.64 19.37 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.018 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -63.25 -39.31 94.25 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -63.67 -45.72 88.83 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.576 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.567 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.5 mm? -68.0 -35.44 78.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.819 178.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.05 -43.47 98.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.209 0.528 . . . . 0.0 110.212 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -71.27 -24.11 62.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.642 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.435 ' O ' HD13 ' B' ' 27' ' ' LEU . 10.2 tp10 -74.95 -39.74 61.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.799 -177.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.2 t -70.75 -37.72 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.219 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.53 96.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.962 -176.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.495 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 11.6 ptm180 -67.06 -44.28 80.54 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.349 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.571 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 10.9 mp -64.98 -34.21 77.9 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.802 177.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -55.9 -38.84 70.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.063 0.458 . . . . 0.0 110.495 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -79.58 -25.3 41.59 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.983 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 90.6 mt -72.38 -34.08 67.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.953 0.406 . . . . 0.0 110.18 176.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 27' ' ' LEU . 58.5 t -75.24 -27.73 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.203 176.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.19 -44.57 5.9 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.549 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.595 -179.66 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -145.68 -55.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.347 0.118 . . . . 0.0 110.737 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 70.8 mtp -60.29 -28.43 68.08 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.47 -34.73 77.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.403 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -69.19 -38.0 78.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.222 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.92 -42.61 94.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 3' ' ' MET . 48.3 mt-10 -62.31 -37.83 87.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.99 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -77.77 -23.79 49.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.88 0.371 . . . . 0.0 110.683 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -77.42 -47.63 19.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.52 -39.58 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.09 -34.56 78.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.854 0.359 . . . . 0.0 110.134 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.0 -54.59 39.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.438 ' HG ' ' HD3' ' A' ' 16' ' ' LYS . 6.9 mp -66.06 -29.45 69.79 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.9 tm? -59.74 -42.42 93.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 171.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -68.39 -37.63 80.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.733 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 29.6 mtpp -58.75 -55.65 32.32 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 121.311 -0.156 . . . . 0.0 111.214 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.66 -26.2 64.28 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.682 -176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -66.01 -51.24 60.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.838 0.351 . . . . 0.0 110.238 177.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 26.6 m-70 -70.28 -33.94 72.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.01 -36.25 79.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.696 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.78 -30.69 70.96 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.978 0.418 . . . . 0.0 110.206 176.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -66.89 -27.66 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.128 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 21.8 mm-40 -71.99 -40.77 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.019 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.539 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 33.2 t -59.66 -36.64 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 177.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.97 -25.59 62.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.499 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.2 ptt180 -76.39 -39.59 53.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 31' ' ' VAL . 10.6 mp -66.76 -26.29 66.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.008 175.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 34.3 mmtp -55.41 -39.38 70.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.627 0.251 . . . . 0.0 111.083 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 4.5 mptp? -76.49 -30.86 57.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.793 0.33 . . . . 0.0 110.352 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.0 mt -69.79 -20.42 63.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.25 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 27' ' ' LEU . 58.8 t -94.06 -29.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.384 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.4 -34.92 8.26 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.585 -174.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.1 -0.952 . . . . 0.0 109.849 -175.629 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.773 -0.531 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -145.47 -55.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.444 0.122 . . . . 0.0 110.809 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.445 ' O ' ' HG3' ' B' ' 7' ' ' GLU . 70.5 mtp -60.5 -28.36 68.31 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.51 -34.58 77.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.371 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -69.46 -37.87 77.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.185 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.95 -42.44 94.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.445 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' B' ' 3' ' ' MET . 48.7 mt-10 -62.61 -37.49 86.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.027 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -78.28 -22.87 47.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.904 0.383 . . . . 0.0 110.802 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -78.12 -47.98 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.37 -39.6 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.781 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.05 -34.35 78.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.952 0.406 . . . . 0.0 110.214 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.35 -54.41 40.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.441 ' HG ' ' HD3' ' B' ' 16' ' ' LYS . 6.9 mp -66.05 -29.51 69.87 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.421 ' C ' HD13 ' B' ' 14' ' ' LEU . 2.9 tm? -59.75 -42.4 93.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 171.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.9 m -68.58 -37.47 79.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.74 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.441 ' HD3' ' HG ' ' B' ' 13' ' ' LEU . 29.8 mtpp -58.71 -55.28 37.14 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 121.283 -0.167 . . . . 0.0 111.4 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.92 -26.42 64.14 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.569 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -65.82 -51.29 60.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.9 0.381 . . . . 0.0 110.289 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 27.0 m-70 -70.13 -34.01 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.612 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.05 -36.27 79.61 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.695 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.71 -30.7 71.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.016 0.436 . . . . 0.0 110.153 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -66.97 -27.6 67.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.111 176.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 21.4 mm-40 -71.75 -40.97 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.023 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' B' ' 28' ' ' LYS . 33.5 t -59.58 -36.67 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.224 0.535 . . . . 0.0 109.596 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.09 -25.09 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.605 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 16.2 ptt180 -76.96 -39.48 50.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 31' ' ' VAL . 10.5 mp -66.7 -26.56 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.048 175.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 34.4 mmtp -55.24 -39.34 69.61 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.724 0.297 . . . . 0.0 111.117 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 4.4 mptp? -76.63 -30.96 57.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.361 . . . . 0.0 110.307 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.21 -20.87 63.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 27' ' ' LEU . 59.1 t -93.94 -29.33 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.529 176.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.5 -34.94 8.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.438 -174.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.243 0.731 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.972 -175.487 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 m 71.4 25.51 3.45 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.075 0.465 . . . . 0.0 110.193 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.3 -34.37 77.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.8 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.94 -35.44 74.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.882 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 93.5 mt-30 -74.17 -44.3 54.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.85 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.77 -43.57 98.6 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.673 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.54 -26.35 65.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.027 0.441 . . . . 0.0 110.63 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -30.68 43.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.837 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.7 mttm -64.88 -47.27 78.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.653 0.263 . . . . 0.0 110.927 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -65.83 -35.56 75.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.789 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -74.69 -34.1 62.58 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.783 0.325 . . . . 0.0 110.635 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.9 -57.57 12.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.829 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 6.5 mp -70.58 -23.84 62.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.436 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.2 tm? -61.04 -40.7 94.6 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 m -73.13 -34.39 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.984 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 13' ' ' LEU . 61.5 tttp -61.34 -55.0 36.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.18 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -68.23 -22.79 64.76 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 120.63 0.252 . . . . 0.0 110.624 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -64.79 -52.18 58.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.035 0.445 . . . . 0.0 110.307 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -67.61 -34.29 76.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 47.7 tp -71.0 -33.45 70.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.702 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.33 -37.84 83.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.052 0.454 . . . . 0.0 109.844 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 24.8 m-80 -67.43 -20.35 65.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.494 176.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 20' ' ' LEU . 11.0 tp10 -75.32 -39.8 59.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.216 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.608 HG22 HG22 ' B' ' 24' ' ' VAL . 18.1 t -67.08 -40.56 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.131 0.491 . . . . 0.0 109.936 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.45 95.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.034 -175.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 7.4 ptt180 -66.36 -41.02 90.09 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.402 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.612 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 11.0 mp -63.72 -35.99 82.38 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.748 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -56.13 -36.72 68.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.836 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -74.33 -34.06 63.34 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.15 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -68.44 -32.44 72.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.852 0.358 . . . . 0.0 110.435 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 27' ' ' LEU . 46.2 t -80.08 -28.69 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.05 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.03 -53.02 4.36 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.109 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.645 178.736 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m 70.72 25.47 4.04 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.271 0.558 . . . . 0.0 110.558 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.4 mmm -63.61 -34.37 77.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.627 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.56 -35.83 75.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.79 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 95.0 mt-30 -74.09 -44.24 54.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.792 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.87 -43.6 98.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.636 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.44 -26.65 65.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.004 0.431 . . . . 0.0 110.594 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.69 -30.86 46.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 178.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 68.7 mttm -64.82 -47.41 78.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.631 0.253 . . . . 0.0 110.877 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.83 -35.02 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.863 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -75.05 -33.98 61.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.38 . . . . 0.0 110.541 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.26 -57.77 11.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.811 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.445 ' HA ' ' CB ' ' B' ' 16' ' ' LYS . 6.5 mp -70.21 -23.95 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.397 -0.521 . . . . 0.0 112.347 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.437 ' C ' HD13 ' B' ' 14' ' ' LEU . 3.2 tm? -61.02 -40.69 94.55 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 18.3 m -73.14 -34.24 65.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.105 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.445 ' CB ' ' HA ' ' B' ' 13' ' ' LEU . 61.5 tttp -61.37 -55.15 34.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.181 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -68.22 -22.81 64.77 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-O 120.541 0.21 . . . . 0.0 110.609 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -64.71 -52.03 59.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.96 0.409 . . . . 0.0 110.267 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -67.8 -34.0 75.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.573 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' B' ' 23' ' ' GLU . 48.3 tp -71.41 -33.43 69.44 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.65 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.22 -38.1 84.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.033 0.444 . . . . 0.0 109.932 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.434 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 23.5 m-80 -67.07 -20.4 65.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.517 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' B' ' 20' ' ' LEU . 11.2 tp10 -75.45 -39.84 58.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.143 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 24' ' ' VAL . 17.7 t -66.97 -40.68 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.47 . . . . 0.0 109.9 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.49 94.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.1 -175.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 7.3 ptt180 -66.41 -40.9 89.87 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.325 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.612 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 11.0 mp -63.93 -35.77 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.703 176.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -56.08 -36.87 68.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 110.748 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -74.43 -34.1 63.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.108 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.405 HD13 ' O ' ' B' ' 26' ' ' ARG . 10.2 mp -68.4 -32.31 72.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.514 177.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 27' ' ' LEU . 46.1 t -80.16 -28.78 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.088 176.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.55 -53.68 4.26 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.08 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.74 179.352 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.934 -0.466 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t 63.2 36.8 11.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.503 0.668 . . . . 0.0 109.834 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.417 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -72.88 -23.61 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.397 -177.443 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -66.49 -43.48 85.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 109.707 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.81 -35.02 64.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.82 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 44.8 tp -66.23 -41.88 89.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.146 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.48 -28.85 66.43 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.268 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.35 -24.42 64.81 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.839 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -58.89 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.076 0.465 . . . . 0.0 109.999 176.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.12 -48.02 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.276 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.57 -34.42 76.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.785 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.52 -56.03 21.83 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.192 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' B' ' 14' ' ' LEU . 2.3 mt -64.6 -34.62 78.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HA ' HD22 ' B' ' 13' ' ' LEU . 3.2 tm? -56.59 -39.54 73.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 m -72.1 -39.2 69.08 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.545 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HD3' HD23 ' A' ' 13' ' ' LEU . 29.4 mtpp -59.38 -51.83 68.22 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.582 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.15 -28.33 67.21 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.534 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -66.32 -44.91 82.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.013 0.435 . . . . 0.0 110.066 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -66.0 -46.26 78.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.852 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 24' ' ' VAL . 4.6 mm? -67.08 -35.25 79.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.019 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.0 -48.37 82.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -65.6 -24.2 67.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.126 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 34.3 tt0 -81.99 -32.88 30.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.205 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 20' ' ' LEU . 84.6 t -63.98 -44.22 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 109.813 173.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.524 ' O ' ' HE3' ' A' ' 29' ' ' LYS . . . -59.74 -41.53 91.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.562 -177.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 7.1 ptp180 -61.75 -43.71 98.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 110.185 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 18.7 mt -70.45 -39.01 74.58 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.355 178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -49.93 -44.86 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.234 0.334 . . . . 0.0 111.266 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -76.44 -27.15 56.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.288 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 26' ' ' ARG . 6.5 mp -71.51 -36.49 71.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.567 0.222 . . . . 0.0 111.082 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' LEU . 28.7 t -77.56 -26.83 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.143 0.497 . . . . 0.0 109.897 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.77 -54.71 3.0 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.263 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.269 -177.313 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t 63.43 36.68 11.23 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.512 0.672 . . . . 0.0 109.802 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.421 ' HA ' ' HB3' ' B' ' 6' ' ' LEU . 0.1 OUTLIER -72.79 -23.39 60.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.448 -177.411 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -66.74 -43.2 84.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.14 0.495 . . . . 0.0 109.708 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -74.2 -34.94 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.276 0.56 . . . . 0.0 109.843 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.421 ' HB3' ' HA ' ' B' ' 3' ' ' MET . 44.5 tp -66.09 -42.0 89.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.159 -178.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.43 -28.81 66.45 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.265 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -24.08 64.46 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 177.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -58.7 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.215 0.531 . . . . 0.0 109.969 176.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.26 -47.89 85.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.342 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.48 -34.73 77.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.829 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.26 -56.19 20.97 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.138 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.465 HD23 ' HD3' ' B' ' 16' ' ' LYS . 2.3 mt -64.54 -34.4 78.16 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.504 ' HA ' HD22 ' A' ' 13' ' ' LEU . 3.2 tm? -56.51 -39.76 73.88 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 172.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 18.6 m -72.2 -38.75 68.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.635 174.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.465 ' HD3' HD23 ' B' ' 13' ' ' LEU . 29.5 mtpp -59.52 -51.78 68.39 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.596 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.28 -28.51 67.25 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.505 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -66.16 -44.96 82.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.146 0.498 . . . . 0.0 110.002 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -65.94 -45.96 79.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.976 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 24' ' ' VAL . 4.6 mm? -67.44 -35.09 78.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.063 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 20' ' ' LEU . 3.0 tm-20 -60.26 -48.11 83.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.142 0.496 . . . . 0.0 109.701 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -65.87 -24.03 66.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.115 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 34.4 tt0 -82.15 -32.92 29.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.145 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.487 HG11 ' OE2' ' A' ' 23' ' ' GLU . 83.9 t -63.97 -44.55 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.105 0.479 . . . . 0.0 109.775 173.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.525 ' O ' ' HE3' ' B' ' 29' ' ' LYS . . . -59.5 -41.41 89.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.474 -177.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 7.0 ptp180 -61.84 -43.84 98.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.105 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 19.0 mt -70.35 -38.85 74.9 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.292 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -50.06 -44.46 51.69 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.324 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.525 ' HE3' ' O ' ' B' ' 25' ' ' ALA . 0.0 OUTLIER -77.22 -26.75 53.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.272 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.573 HD13 ' O ' ' B' ' 26' ' ' ARG . 6.6 mp -71.35 -36.68 71.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.541 0.21 . . . . 0.0 111.047 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 27' ' ' LEU . 28.5 t -77.18 -27.67 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.076 0.465 . . . . 0.0 109.965 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.27 -54.32 3.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.345 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 117.888 -1.054 . . . . 0.0 110.354 -177.35 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -168.53 -54.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.467 0.175 . . . . 0.0 110.764 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.441 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 89.8 mmm -62.8 -51.34 67.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -175.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -64.93 -34.62 78.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.415 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -65.64 -35.98 82.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.287 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 6' ' ' LEU . 1.1 tm? -70.43 -37.5 74.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 3' ' ' MET . 14.1 mm-40 -63.09 -36.64 84.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.154 0.502 . . . . 0.0 110.428 176.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -73.28 -22.41 60.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -71.18 -34.82 71.26 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.618 HG22 HG22 ' B' ' 10' ' ' VAL . 42.5 t -64.19 -48.51 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.433 0.635 . . . . 0.0 109.977 174.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.97 -26.17 64.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.887 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -56.14 -53.31 58.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 5.5 mp -72.83 -21.47 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.689 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 5.9 tt -66.58 -40.36 88.9 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 172.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -64.42 -34.12 77.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.487 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 57.7 tttp -59.87 -54.47 45.84 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.719 175.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.689 ' OD1' ' HA ' ' A' ' 14' ' ' LEU . 2.5 p-10 -70.98 -34.62 71.58 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.247 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -53.59 -52.05 61.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.382 . . . . 0.0 110.744 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.503 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 34.9 m170 -70.33 -35.87 73.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.157 0.503 . . . . 0.0 110.433 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.2 tp -65.47 -34.25 77.84 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.444 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.59 -30.82 71.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.972 0.415 . . . . 0.0 109.972 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 5.1 m-20 -64.29 -26.07 68.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.171 175.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.66 -34.83 58.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.673 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.41 -39.33 76.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.228 0.537 . . . . 0.0 109.797 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.14 93.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.06 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -66.81 -43.44 83.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.877 0.37 . . . . 0.0 111.204 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.71 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 25.7 mt -68.16 -40.92 82.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.545 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -49.75 -51.47 38.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.149 0.28 . . . . 0.0 111.074 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HA ' ' N ' ' A' ' 33' ' ' GLU . 14.6 ptmm? -73.22 -20.67 60.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.741 -0.208 . . . . 0.0 111.471 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.09 -31.69 68.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.448 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 27' ' ' LEU . 16.7 t -86.46 -29.01 5.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.628 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.67 -1.37 0.07 OUTLIER Glycine 0 CA--C 1.522 0.48 0 C-N-CA 119.753 -1.213 . . . . 0.0 114.475 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' HA ' ' A' ' 29' ' ' LYS . 45.6 tt0 . . . . . 0 C--O 1.25 1.089 0 CA-C-N 117.22 0.51 . . . . 0.0 111.499 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.686 -0.565 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.1 t -168.45 -54.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.432 0.158 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.455 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 90.0 mmm -63.09 -50.91 68.7 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -175.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.46 -34.56 78.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.983 0.421 . . . . 0.0 110.348 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.63 -35.88 82.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.322 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' B' ' 6' ' ' LEU . 1.1 tm? -70.5 -37.6 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 3' ' ' MET . 15.1 mm-40 -63.1 -36.62 84.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.487 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -73.11 -22.9 60.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.694 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -70.72 -34.72 72.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.988 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.618 HG22 HG22 ' A' ' 10' ' ' VAL . 42.5 t -64.4 -48.38 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.86 174.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.28 -26.05 64.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.909 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -56.34 -52.71 63.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' B' ' 16' ' ' LYS . 5.5 mp -73.27 -21.51 60.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 178.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.687 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 5.9 tt -66.6 -40.42 88.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.693 -0.803 . . . . 0.0 108.868 172.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -64.18 -34.13 77.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.452 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' B' ' 13' ' ' LEU . 58.3 tttp -59.76 -54.87 41.31 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.525 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.687 ' OD1' ' HA ' ' B' ' 14' ' ' LEU . 2.4 p-10 -70.84 -34.3 71.53 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.22 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -53.7 -52.05 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.757 175.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.502 ' O ' ' HB2' ' B' ' 22' ' ' ASN . 34.9 m170 -70.48 -36.28 73.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.203 0.525 . . . . 0.0 110.331 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.06 -34.06 77.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.69 -30.67 71.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.0 0.429 . . . . 0.0 110.042 175.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 5.1 m-20 -64.62 -26.02 68.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.061 175.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.47 -34.62 58.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.613 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 20.0 t -70.76 -39.07 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.299 0.571 . . . . 0.0 109.845 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.98 92.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.113 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -66.96 -43.43 83.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.851 0.357 . . . . 0.0 111.206 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.71 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 24.9 mt -68.2 -40.83 82.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.533 177.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -49.71 -51.54 37.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.171 0.295 . . . . 0.0 111.069 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.433 ' HA ' ' N ' ' B' ' 33' ' ' GLU . 14.5 ptmm? -72.97 -20.73 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -178.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 28.9 mt -70.91 -31.89 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.431 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.564 HG23 ' O ' ' B' ' 27' ' ' LEU . 17.0 t -86.62 -28.52 5.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.82 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.04 -1.12 0.07 OUTLIER Glycine 0 CA--C 1.523 0.571 0 C-N-CA 119.946 -1.121 . . . . 0.0 114.436 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.433 ' N ' ' HA ' ' B' ' 29' ' ' LYS . 45.8 tt0 . . . . . 0 C--O 1.246 0.877 0 CA-C-N 117.191 0.496 . . . . 0.0 111.28 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -94.33 -6.54 44.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.669 -0.312 . . . . 0.0 111.059 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.528 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 27.0 ttt -63.35 -39.62 95.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.294 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.72 -35.25 79.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.403 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' O ' ' HD3' ' A' ' 9' ' ' LYS . 83.1 mm-40 -66.85 -43.18 84.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.712 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.54 -25.64 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.459 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 3' ' ' MET . 41.3 mm-40 -61.52 -34.44 75.53 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 175.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.74 -37.41 67.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.18 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 5' ' ' GLN . 5.3 mptp? -61.61 -54.95 36.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.19 -37.17 78.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.35 -176.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.95 -34.55 64.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.689 0.281 . . . . 0.0 110.974 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.92 -56.14 25.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.756 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.62 -25.3 62.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.53 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 3.0 tm? -59.13 -41.68 88.84 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -69.65 -34.41 73.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.978 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.4 -53.51 53.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.53 ' OD1' ' HA ' ' A' ' 14' ' ' LEU . 2.4 p-10 -67.63 -26.01 66.02 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.45 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -63.99 -51.55 63.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.018 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -67.57 -32.96 74.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.641 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 1.4 mm? -66.88 -38.22 85.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.689 176.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.86 -43.24 99.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 79.8 m-20 -62.36 -28.03 69.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.329 176.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' O ' HD13 ' A' ' 27' ' ' LEU . 12.9 tp10 -76.22 -36.79 58.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.529 -176.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.0 t -70.92 -40.29 76.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.985 0.421 . . . . 0.0 110.156 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.24 90.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.08 -175.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 13.4 ptm180 -67.72 -41.11 83.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.687 0.279 . . . . 0.0 111.334 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 23' ' ' GLU . 10.8 mp -64.33 -32.86 74.63 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.033 176.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -54.39 -38.27 65.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.666 0.27 . . . . 0.0 110.888 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 33' ' ' GLU . 82.2 tttt -72.62 -29.6 63.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.983 0.421 . . . . 0.0 111.056 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -73.44 -33.94 65.16 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.941 0.401 . . . . 0.0 110.034 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 27' ' ' LEU . 58.7 t -76.68 -31.86 20.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.35 31.05 0.07 OUTLIER Glycine 0 C--N 1.334 0.466 0 C-N-CA 119.629 -1.272 . . . . 0.0 114.258 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 42.1 mt-10 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.527 174.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 57.6 m -94.12 -6.69 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.648 -0.325 . . . . 0.0 111.127 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.526 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 27.3 ttt -62.97 -39.89 96.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.392 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.29 -35.41 80.27 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.624 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -66.56 -43.35 85.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.801 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.46 -25.59 68.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.371 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' B' ' 3' ' ' MET . 42.3 mm-40 -61.51 -34.3 75.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.0 0.429 . . . . 0.0 109.879 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.17 -37.32 66.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -61.42 -55.17 34.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.84 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.99 -37.17 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.373 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.16 -34.66 63.89 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.585 0.231 . . . . 0.0 110.972 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.4 -56.8 17.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.771 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.2 -25.29 63.35 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.531 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 3.0 tm? -59.29 -41.54 89.18 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 170.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -69.71 -34.52 74.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.887 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.37 -53.23 58.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.158 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.531 ' OD1' ' HA ' ' B' ' 14' ' ' LEU . 2.4 p-10 -67.93 -25.87 65.69 Favored 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.427 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -64.19 -51.51 63.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 0.0 110.003 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -67.73 -32.58 73.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.565 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 1.4 mm? -67.14 -38.11 84.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.11 -42.96 99.65 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 79.3 m-20 -62.58 -27.71 69.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.236 176.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.534 ' O ' HD13 ' B' ' 27' ' ' LEU . 13.0 tp10 -76.41 -36.68 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.544 -176.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -71.07 -40.38 75.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.425 . . . . 0.0 110.229 176.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.38 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.057 -175.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 13.4 ptm180 -67.85 -41.12 83.4 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.59 0.233 . . . . 0.0 111.187 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.534 HD13 ' O ' ' B' ' 23' ' ' GLU . 10.8 mp -64.15 -33.08 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.096 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -54.1 -38.25 65.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.752 0.31 . . . . 0.0 110.938 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' B' ' 33' ' ' GLU . 82.0 tttt -72.75 -29.53 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -73.84 -33.54 64.16 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.983 0.42 . . . . 0.0 110.045 175.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 27' ' ' LEU . 57.4 t -76.9 -31.71 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.004 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.18 30.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 119.462 -1.352 . . . . 0.0 114.318 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 42.3 mt-10 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.203 -0.904 . . . . 0.0 111.613 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m 73.82 28.4 1.58 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.416 0.627 . . . . 0.0 110.509 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 ttt -64.22 -32.3 73.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.773 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -64.38 -30.73 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.375 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 80.9 mm-40 -65.87 -39.05 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.118 178.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.76 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.576 176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.0 -41.7 92.66 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.097 0.475 . . . . 0.0 110.387 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -63.95 -41.87 97.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.692 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 97.1 mttt -63.86 -51.8 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.721 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.3 p -61.99 -37.32 78.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.239 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -74.37 -33.64 63.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.021 0.439 . . . . 0.0 110.541 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -59.63 -55.53 33.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.725 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.442 HD23 HD22 ' B' ' 17' ' ' ASN . 7.6 mp -66.85 -30.77 71.03 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.434 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.9 tm? -55.9 -39.81 72.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.412 0.625 . . . . 0.0 109.427 172.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -76.93 -36.36 56.63 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.615 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HE3' ' HG ' ' A' ' 13' ' ' LEU . 25.8 ttpp -64.44 -49.76 70.22 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.65 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.575 ' HB3' ' HB3' ' B' ' 17' ' ' ASN . 28.6 p30 -68.16 -19.95 64.84 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.936 0.398 . . . . 0.0 111.307 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -70.31 -40.87 73.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -70.42 -27.59 64.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.269 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 24' ' ' VAL . 7.3 mp -72.16 -35.4 69.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.51 175.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 52.0 mt-10 -61.01 -35.56 77.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 0.0 109.543 174.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -66.3 -33.61 76.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.451 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.78 -41.52 64.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.451 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 20' ' ' LEU . 42.5 t -61.73 -39.41 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.118 0.485 . . . . 0.0 109.95 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -70.85 -33.82 71.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.378 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -64.7 -37.33 87.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.319 0.581 . . . . 0.0 109.657 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 35.5 mt -74.77 -43.0 57.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.801 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 13.6 mmmm -45.51 -48.49 14.11 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.311 0.382 . . . . 0.0 110.836 174.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 25' ' ' ALA . 93.9 mttt -61.18 -40.07 92.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.277 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.75 -33.07 75.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.721 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 27' ' ' LEU . 17.7 t -79.91 -26.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.952 0.406 . . . . 0.0 110.51 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.01 39.1 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.608 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.247 179.3 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m 73.14 28.59 1.85 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.493 0.663 . . . . 0.0 110.624 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.3 ttt -64.3 -32.33 73.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.646 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -64.27 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.373 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 81.0 mm-40 -65.71 -39.01 90.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.023 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.87 -37.78 88.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 176.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.32 -41.49 93.6 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.353 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -63.95 -41.86 97.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.666 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 96.9 mttt -64.07 -51.45 64.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.757 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 10.4 p -62.21 -37.36 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 120.545 0.212 . . . . 0.0 111.223 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -74.26 -33.85 63.43 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 110.473 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -59.43 -55.52 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.828 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.441 HD23 HD22 ' A' ' 17' ' ' ASN . 7.6 mp -67.08 -30.64 70.73 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.431 ' C ' HD13 ' B' ' 14' ' ' LEU . 2.9 tm? -56.05 -39.57 72.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.376 0.608 . . . . 0.0 109.451 172.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 24.1 m -77.27 -36.2 54.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.664 176.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.421 ' HE3' ' HG ' ' B' ' 13' ' ' LEU . 25.8 ttpp -64.36 -49.81 70.19 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.682 -177.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.575 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 28.5 p30 -68.06 -19.98 64.92 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.918 0.39 . . . . 0.0 111.353 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -70.3 -40.91 73.96 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -70.35 -27.29 64.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.386 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.529 ' O ' HG23 ' B' ' 24' ' ' VAL . 7.3 mp -72.46 -35.22 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.568 175.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 51.7 mt-10 -60.99 -35.89 78.03 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -65.85 -34.12 77.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.514 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.38 -41.61 66.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.48 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 20' ' ' LEU . 43.0 t -61.84 -39.31 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.062 0.458 . . . . 0.0 109.956 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -70.93 -33.96 71.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.237 -178.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -64.65 -37.16 86.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.444 0.64 . . . . 0.0 109.687 -179.348 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 35.4 mt -75.01 -42.68 56.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.901 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 13.6 mmmm -45.8 -48.39 15.62 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.248 0.343 . . . . 0.0 110.753 174.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 25' ' ' ALA . 93.8 mttt -61.3 -40.04 92.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.16 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.02 -32.76 74.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.714 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 27' ' ' LEU . 18.1 t -79.93 -26.54 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.977 0.417 . . . . 0.0 110.527 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.94 39.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.677 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.104 178.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 p -79.45 -49.21 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.723 0.297 . . . . 0.0 111.121 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.12 -31.17 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.001 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -65.63 -53.7 37.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.766 0.317 . . . . 0.0 110.582 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 48.6 mt-30 -66.0 -30.2 70.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.662 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.1 tp -69.48 -42.9 74.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.808 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.74 -39.19 93.21 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 120.84 0.352 . . . . 0.0 110.207 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.39 -38.38 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.204 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 62.5 mttp -60.51 -54.71 42.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.704 0.288 . . . . 0.0 111.493 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.69 -34.52 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.91 -43.44 83.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.693 0.282 . . . . 0.0 110.567 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 15' ' ' SER . 18.7 mm-40 -62.31 -34.01 75.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 175.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.13 -32.14 64.73 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.777 -0.577 . . . . 0.0 112.548 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.83 -46.38 89.72 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 167.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 50.2 m -52.79 -48.77 66.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.476 175.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -65.08 -53.51 44.5 Favored 'General case' 0 C--O 1.22 -0.463 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.692 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -54.14 -59.8 4.18 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -66.27 -40.25 89.99 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -174.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 15' ' ' SER . 26.0 m-70 -75.04 -27.43 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.231 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 24' ' ' VAL . 65.3 tp -71.21 -36.22 71.82 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 174.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.55 -31.8 73.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.225 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.402 ' OD1' ' HA ' ' A' ' 19' ' ' HIS . 15.7 m120 -61.94 -35.13 77.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.143 174.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -72.73 -38.58 67.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.798 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.82 HG12 HG12 ' B' ' 24' ' ' VAL . 0.6 OUTLIER -68.6 -31.54 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.378 0.609 . . . . 0.0 109.541 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.621 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . -63.8 -32.78 74.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.44 176.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.68 -52.1 62.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.703 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.686 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 14.4 mt -58.22 -41.17 83.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.683 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -52.63 -41.47 63.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.134 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 29.0 mmmt -72.04 -33.9 68.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.049 0.452 . . . . 0.0 110.459 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.86 -30.36 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.977 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 27' ' ' LEU . 96.3 t -68.44 -32.24 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.747 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.82 46.3 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 119.66 -1.257 . . . . 0.0 113.344 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.963 -0.541 . . . . 0.0 111.554 176.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.081 -0.408 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -79.36 -49.19 12.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.547 0.213 . . . . 0.0 111.131 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.11 -31.29 72.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.001 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -65.67 -53.49 40.52 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.594 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -66.06 -29.98 70.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 tp -69.87 -42.68 73.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.746 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.89 -39.17 93.12 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 120.865 0.364 . . . . 0.0 110.283 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.38 -38.39 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.234 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -60.48 -54.8 41.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.762 0.315 . . . . 0.0 111.506 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.49 -34.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.988 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.87 -43.36 83.73 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 110.635 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -62.54 -33.72 75.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 175.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.19 -32.12 64.62 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.88 -46.28 90.09 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 167.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.525 ' O ' ' HB2' ' B' ' 19' ' ' HIS . 49.5 m -53.13 -48.12 68.14 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.623 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -65.47 -53.9 36.09 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.631 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -53.75 -59.81 4.14 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -176.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -66.35 -39.97 89.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' B' ' 15' ' ' SER . 25.8 m-70 -75.59 -26.96 58.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 111.27 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.422 ' O ' HG13 ' B' ' 24' ' ' VAL . 65.3 tp -71.49 -35.93 70.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.401 ' HA ' HG13 ' B' ' 24' ' ' VAL . 31.9 tt0 -63.86 -31.83 73.14 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 176.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.4 ' OD1' ' HA ' ' B' ' 19' ' ' HIS . 15.6 m120 -62.0 -34.9 77.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.219 0.533 . . . . 0.0 110.117 174.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -72.76 -38.75 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.763 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.82 HG12 HG12 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -68.53 -31.71 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.31 0.576 . . . . 0.0 109.554 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.626 ' O ' ' HG2' ' B' ' 29' ' ' LYS . . . -63.71 -32.75 74.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.442 176.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -63.57 -51.99 62.99 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.686 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 14.5 mt -58.45 -41.12 84.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.623 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -52.45 -41.18 63.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.303 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' B' ' 25' ' ' ALA . 28.9 mmmt -72.52 -33.85 67.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.13 0.491 . . . . 0.0 110.549 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.79 -30.19 61.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.126 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 27' ' ' LEU . 96.2 t -68.68 -32.25 54.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.728 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.69 46.34 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 119.824 -1.179 . . . . 0.0 113.388 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.48 176.683 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.819 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -145.23 50.88 1.22 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.197 0.523 . . . . 0.0 110.298 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.446 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 27.9 ttt -62.61 -31.32 72.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.781 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -58.69 -46.64 86.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.586 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -63.93 -40.3 96.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.263 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.22 -34.88 79.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.285 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 3' ' ' MET . 31.3 mm-40 -59.7 -39.81 85.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.973 0.416 . . . . 0.0 110.807 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.15 -38.75 63.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.38 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -70.71 -43.48 68.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.138 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.15 -35.02 66.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.691 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -67.51 -39.04 85.12 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 9.0 tp10 -57.36 -51.5 69.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.495 176.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 6.5 mt -71.53 -31.48 67.1 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' B' ' 13' ' ' LEU . 3.0 tm? -56.8 -43.87 81.38 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.3 p -77.01 -33.34 57.52 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.389 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 28.6 mtpp -59.1 -45.65 90.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.279 0.491 . . . . 0.0 110.585 173.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -52.14 -49.38 63.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.826 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -67.32 -39.63 85.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.759 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -57.47 -42.51 82.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.084 0.469 . . . . 0.0 110.548 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.571 ' O ' HG23 ' A' ' 24' ' ' VAL . 7.3 mp -78.28 -34.29 49.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.114 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -59.77 -39.6 85.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -63.06 -33.46 75.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.858 175.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -75.01 -33.61 61.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.069 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 20' ' ' LEU . 21.2 t -69.46 -38.19 76.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.031 0.443 . . . . 0.0 109.859 177.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.92 96.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.799 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 11.1 ptm180 -66.33 -46.68 76.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.712 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 16.0 mt -68.84 -37.54 79.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.335 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -52.64 -37.42 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.912 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -90.8 -9.24 47.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.19 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.4 mt -82.37 -31.52 29.7 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.907 -0.495 . . . . 0.0 109.665 173.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 27' ' ' LEU . 10.1 t -89.2 -26.44 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.068 175.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.55 -45.53 2.12 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.037 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.308 -178.428 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -145.84 51.08 1.17 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.263 0.554 . . . . 0.0 110.398 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.439 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 28.0 ttt -62.94 -31.34 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.697 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -58.6 -46.84 86.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.668 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.69 -40.44 96.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.243 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.98 -35.17 79.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.295 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 3' ' ' MET . 31.1 mm-40 -59.33 -39.87 84.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 0.0 110.799 177.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.42 -38.12 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.416 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -71.03 -43.69 67.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.143 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.12 -35.1 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.619 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.34 -39.26 85.78 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.067 0.46 . . . . 0.0 109.785 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' B' ' 16' ' ' LYS . 9.0 tp10 -57.2 -51.21 70.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.585 176.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 14' ' ' LEU . 6.5 mt -71.8 -31.63 66.76 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' A' ' 13' ' ' LEU . 3.0 tm? -56.62 -43.99 80.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 7.4 p -77.03 -33.38 57.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.32 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 12' ' ' GLU . 28.6 mtpp -58.98 -45.87 89.51 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.321 0.51 . . . . 0.0 110.444 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -52.01 -49.25 63.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.804 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -67.65 -39.41 84.59 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -57.67 -41.89 82.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.01 0.433 . . . . 0.0 110.733 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 24' ' ' VAL . 7.3 mp -78.88 -34.04 45.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.985 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.95 -39.55 85.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -63.03 -33.7 75.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.898 175.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.74 -33.68 62.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.122 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 20' ' ' LEU . 20.8 t -69.61 -37.56 74.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 109.832 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.84 95.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.861 -176.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 11.0 ptm180 -66.23 -47.07 75.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.525 -178.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.712 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 16.3 mt -68.49 -37.82 80.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.38 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -52.45 -37.29 56.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.083 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -91.03 -9.41 45.97 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.181 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 90.9 mt -82.08 -31.73 30.62 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.651 173.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 27' ' ' LEU . 10.1 t -88.94 -26.36 5.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.98 175.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.05 -44.73 2.17 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.133 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.339 -178.928 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.438 ' HB2' ' SD ' ' B' ' 3' ' ' MET . 18.1 p -84.68 -52.91 5.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.236 -178.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.419 ' SD ' ' HB2' ' B' ' 2' ' ' SER . 93.6 mtp -69.09 -27.62 65.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.018 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -58.77 -41.89 87.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -70.16 -45.24 67.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.741 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 4.5 mm? -69.79 -36.15 75.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.874 -176.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.66 -23.23 65.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.663 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.46 -34.73 47.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.227 176.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HB3' HG21 ' B' ' 10' ' ' VAL . 74.0 mmtt -67.7 -53.25 29.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.968 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.57 -40.87 89.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.268 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.31 -37.54 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.649 0.261 . . . . 0.0 110.332 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.41 -57.02 14.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -73.42 -21.04 60.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.9 tm? -60.38 -44.7 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -73.24 -43.56 60.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.116 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -58.83 -36.27 74.27 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.25 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -64.04 -47.81 78.73 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 120.57 0.224 . . . . 0.0 111.034 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -67.66 -33.63 75.32 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.092 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -66.3 -36.16 82.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.357 0.598 . . . . 0.0 109.902 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.0 tp -72.75 -30.56 64.25 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.226 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -66.68 -35.81 81.02 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -60.92 -31.48 71.0 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.984 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.567 ' HA ' ' HG3' ' A' ' 26' ' ' ARG . 42.8 tt0 -69.83 -39.09 76.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.741 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.806 HG22 HG22 ' B' ' 24' ' ' VAL . 1.9 t -65.64 -33.19 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . . . -66.43 -28.74 68.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.331 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.567 ' HG3' ' HA ' ' A' ' 23' ' ' GLU . 13.2 mtp180 -64.39 -52.52 57.81 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD23 ' N ' ' B' ' 28' ' ' LYS . 10.3 mp -62.63 -45.74 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.567 -172.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' N ' HD23 ' B' ' 27' ' ' LEU . 46.4 pttt -63.83 -25.4 68.15 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 119.987 -0.685 . . . . 0.0 112.121 -177.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 25' ' ' ALA . 10.6 mtmp? -66.38 -36.51 83.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.31 -33.97 67.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.58 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 27' ' ' LEU . 53.8 t -67.28 -27.38 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 121.081 0.467 . . . . 0.0 109.993 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.55 44.06 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.483 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.98 -0.533 . . . . 0.0 111.398 -179.55 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.419 ' HB2' ' SD ' ' A' ' 3' ' ' MET . 17.0 p -84.68 -52.87 5.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.177 0.513 . . . . 0.0 110.227 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' A' ' 2' ' ' SER . 94.1 mtp -69.27 -27.68 65.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.992 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.68 -41.84 87.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.042 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -70.14 -45.43 66.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.737 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 4.5 mm? -69.47 -36.44 76.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.94 -176.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.4 -23.33 65.55 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.826 0.346 . . . . 0.0 110.702 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.38 -34.59 48.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.247 176.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -67.95 -53.17 28.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.802 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 9' ' ' LYS . 7.1 p -62.66 -40.61 89.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.351 -177.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -68.45 -37.62 80.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 0.0 110.461 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.07 -57.59 12.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.921 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -73.12 -20.93 60.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.414 ' C ' HD13 ' B' ' 14' ' ' LEU . 2.9 tm? -60.48 -44.67 95.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 170.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -73.14 -43.64 61.29 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.081 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -58.8 -36.23 74.13 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.246 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -64.11 -47.85 78.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.605 0.24 . . . . 0.0 110.993 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -67.49 -33.82 75.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.188 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -66.07 -36.29 82.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.272 0.558 . . . . 0.0 109.901 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 66.4 tp -72.72 -30.59 64.31 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.133 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -66.59 -35.78 81.04 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -60.78 -31.91 71.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.942 174.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.566 ' HA ' ' HG3' ' B' ' 26' ' ' ARG . 42.9 tt0 -69.66 -39.25 77.14 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.696 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.806 HG22 HG22 ' A' ' 24' ' ' VAL . 1.9 t -65.31 -33.34 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.491 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . . . -66.33 -28.58 68.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.451 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.566 ' HG3' ' HA ' ' B' ' 23' ' ' GLU . 12.9 mtp180 -64.46 -52.4 58.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 28' ' ' LYS . 10.3 mp -62.66 -45.69 91.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.587 -172.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.53 ' N ' HD23 ' A' ' 27' ' ' LEU . 46.0 pttt -63.98 -25.12 67.99 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.975 -0.69 . . . . 0.0 112.167 -177.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 25' ' ' ALA . 10.6 mtmp? -66.99 -36.03 81.25 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.37 -33.81 67.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.586 175.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 27' ' ' LEU . 52.1 t -67.42 -27.47 38.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.958 0.409 . . . . 0.0 110.144 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.01 43.47 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.528 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 45.4 mt-10 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 123.014 0.525 . . . . 0.0 111.429 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 m -116.53 12.41 15.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.88 0.371 . . . . 0.0 110.675 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -70.13 -43.93 69.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.23 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -69.9 -32.64 71.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.641 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -62.37 -42.24 99.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.68 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.37 -35.23 65.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.596 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.93 -42.85 97.24 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.459 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.33 -26.52 64.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.028 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -79.96 -43.4 22.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.62 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.61 -34.8 63.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 110.376 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.02 -35.15 76.32 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.67 -48.63 78.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.852 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -33.57 72.78 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.4 tm? -56.03 -42.16 76.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 170.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -63.74 -46.16 86.6 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.832 175.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -61.21 -45.34 94.96 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.397 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 36.1 t30 -54.49 -46.8 73.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.12 0.486 . . . . 0.0 110.309 174.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -60.45 -40.95 92.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.855 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 53.9 m170 -60.51 -49.19 78.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.328 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 4.5 mm? -66.57 -33.88 76.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.761 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 42.0 mt-10 -59.96 -39.82 86.91 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.762 0.315 . . . . 0.0 110.489 175.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -65.24 -30.47 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.495 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.668 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 10.4 mm-40 -78.03 -41.03 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.167 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 20' ' ' LEU . 73.8 t -62.59 -40.15 87.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.065 0.46 . . . . 0.0 110.029 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.06 69.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.399 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.668 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 4.1 ptm180 -73.07 -43.44 61.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.265 0.555 . . . . 0.0 110.317 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.665 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 17.5 mt -74.31 -39.7 62.72 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.113 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -49.93 -43.33 49.76 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.116 0.26 . . . . 0.0 111.68 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 26' ' ' ARG . 58.9 pttt -78.47 -28.64 46.52 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.336 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 85.5 mt -67.11 -32.12 73.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.821 0.343 . . . . 0.0 110.595 177.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 27' ' ' LEU . 36.3 t -78.36 -23.5 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.453 0.644 . . . . 0.0 109.442 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.8 -54.38 4.94 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.847 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' HG2' ' OXT' ' A' ' 33' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.419 -0.801 . . . . 0.0 110.405 177.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -116.41 12.39 15.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.011 0.434 . . . . 0.0 110.846 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -70.0 -43.84 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.395 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -70.04 -32.3 70.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.78 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -62.73 -42.09 99.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.733 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.41 -35.37 65.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.612 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.9 -42.49 97.43 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.7 -26.14 64.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -80.23 -43.37 21.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.742 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.64 -34.69 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.331 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.13 -35.24 76.17 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.47 -48.62 78.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.992 174.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.75 -33.33 72.29 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 175.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.422 ' C ' HD13 ' B' ' 14' ' ' LEU . 2.5 tm? -56.23 -42.0 76.58 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.6 t -63.86 -45.98 87.02 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.725 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -61.32 -45.35 94.8 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.411 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.429 ' O ' ' HG3' ' B' ' 21' ' ' GLU . 35.8 t30 -54.61 -46.74 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.03 0.443 . . . . 0.0 110.22 174.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -60.43 -41.09 93.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.843 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.553 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 53.4 m170 -60.46 -48.92 79.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.452 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 4.5 mm? -66.72 -34.0 76.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 41.9 mt-10 -59.75 -40.33 87.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.924 0.393 . . . . 0.0 110.344 175.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -64.69 -30.42 71.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.572 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.662 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 10.4 mm-40 -78.33 -40.91 35.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.247 -178.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 20' ' ' LEU . 75.9 t -62.61 -40.15 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.121 0.486 . . . . 0.0 110.107 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.74 -30.12 69.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.437 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.662 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 4.2 ptm180 -73.1 -43.25 62.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.156 0.503 . . . . 0.0 110.239 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.665 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 17.2 mt -74.42 -39.5 62.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.163 -178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -50.25 -42.86 52.69 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.168 0.292 . . . . 0.0 111.687 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' B' ' 26' ' ' ARG . 58.9 pttt -78.67 -29.07 45.46 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.26 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 85.3 mt -66.77 -32.14 73.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.352 . . . . 0.0 110.656 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 27' ' ' LEU . 35.4 t -78.26 -23.68 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.03 -54.17 4.94 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.996 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.417 ' OXT' ' HG2' ' B' ' 33' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.262 177.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.746 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 9.4 t -154.73 -63.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 mpp? 54.75 -170.75 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.475 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -80.01 -52.85 7.32 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.822 -0.549 . . . . 0.0 110.493 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -65.57 -34.61 78.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.746 ' HB3' ' O ' ' A' ' 2' ' ' SER . 3.1 tm? -85.94 -34.31 20.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.927 -175.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.54 -40.86 98.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 174.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.73 -29.0 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.735 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -70.12 -52.33 24.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.937 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.46 -35.63 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.33 -43.42 97.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.825 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -57.13 -53.82 53.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.055 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' B' ' 14' ' ' LEU . 1.2 mt -72.13 -22.9 61.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -174.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.519 ' HB3' HD22 ' B' ' 13' ' ' LEU . 4.2 pp -86.82 -16.75 35.22 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.977 172.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -72.85 -38.38 67.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 167.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 24.9 mtpp -53.13 -54.16 39.79 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 169.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -56.98 -41.92 79.26 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.631 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.21 -52.85 62.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.056 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 59.4 m-70 -70.86 -32.59 69.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp -65.27 -36.29 83.66 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.985 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.73 -30.37 71.48 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.305 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 15.7 m120 -64.76 -30.25 71.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.247 0.546 . . . . 0.0 109.98 176.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -78.03 -34.47 50.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.285 177.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.495 HG22 HG22 ' B' ' 24' ' ' VAL . 38.2 t -62.81 -41.77 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.18 87.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.445 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.609 ' O ' HD23 ' A' ' 30' ' ' LEU . 5.2 ptp180 -65.0 -40.67 95.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.138 0.494 . . . . 0.0 110.177 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.718 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 22.8 mt -73.26 -41.61 63.46 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.35 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -51.51 -42.37 61.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.61 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 19.9 pttp -77.82 -23.28 49.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.567 0.222 . . . . 0.0 111.154 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 26' ' ' ARG . 3.1 mm? -73.94 -37.62 64.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.625 0.25 . . . . 0.0 110.996 176.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 27' ' ' LEU . 17.9 t -78.54 -25.63 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.208 0.528 . . . . 0.0 110.037 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.66 -52.06 3.45 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.565 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.793 -178.256 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.741 ' O ' ' HB3' ' B' ' 6' ' ' LEU . 10.7 t -154.57 -63.81 0.13 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.1 mpp? 54.86 -170.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.608 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -80.36 -52.93 7.11 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.62 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.51 -34.52 78.46 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.741 ' HB3' ' O ' ' B' ' 2' ' ' SER . 3.1 tm? -85.97 -34.37 20.86 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.97 -175.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.44 -40.71 97.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.14 -28.24 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.864 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -71.11 -52.0 21.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.768 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.57 -35.59 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.051 0.453 . . . . 0.0 110.471 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.46 -43.34 97.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.901 175.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.14 -53.81 53.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.993 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mt -72.21 -22.73 61.22 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -174.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.547 ' HB3' HD22 ' A' ' 13' ' ' LEU . 4.2 pp -86.82 -16.86 34.92 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.852 171.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 34.3 t -72.68 -38.58 67.55 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 167.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' B' ' 13' ' ' LEU . 24.9 mtpp -53.07 -54.02 41.71 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -57.1 -41.77 79.53 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.764 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.3 -52.88 61.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.914 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' B' ' 22' ' ' ASN . 59.0 m-70 -70.92 -32.06 68.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.0 0.429 . . . . 0.0 110.765 -178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.68 -36.16 82.85 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.04 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.74 -30.41 71.51 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.291 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 15.8 m120 -65.06 -29.83 70.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.302 0.572 . . . . 0.0 109.994 176.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 0.9 OUTLIER -78.21 -34.42 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.238 177.659 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.495 HG22 HG22 ' A' ' 24' ' ' VAL . 38.4 t -62.91 -41.94 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.263 0.554 . . . . 0.0 109.529 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.12 87.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.394 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.61 ' O ' HD23 ' B' ' 30' ' ' LEU . 5.2 ptp180 -65.17 -40.55 94.44 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.23 0.538 . . . . 0.0 110.238 -177.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.718 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 22.3 mt -73.45 -41.65 62.94 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.303 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -51.4 -42.48 61.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.641 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 26' ' ' ARG . 19.8 pttp -77.72 -23.26 49.45 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.61 HD23 ' O ' ' B' ' 26' ' ' ARG . 3.1 mm? -73.82 -37.86 64.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.709 0.29 . . . . 0.0 110.991 176.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 27' ' ' LEU . 17.7 t -78.28 -25.65 14.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.285 0.565 . . . . 0.0 110.11 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.64 -51.89 3.51 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.748 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.814 -178.152 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m 73.19 12.54 4.89 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.156 0.503 . . . . 0.0 110.816 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.3 mmt -66.72 -30.8 71.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.224 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.05 -51.47 67.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -66.87 -34.29 77.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 -176.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.75 -43.54 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.683 0.277 . . . . 0.0 110.836 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 44.4 mt-10 -67.19 -39.34 86.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.712 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.7 -26.23 66.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -70.4 -37.78 74.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.15 -44.42 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.033 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 6.8 mm-40 -64.61 -34.28 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.9 -54.42 47.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.524 173.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -68.85 -17.48 64.0 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.719 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 4.8 tt -72.28 -40.16 67.8 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 172.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -64.89 -36.2 83.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -56.94 -48.19 78.89 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.912 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.719 ' ND2' ' HA ' ' A' ' 14' ' ' LEU . 8.9 p30 -81.57 -33.21 31.77 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.289 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -55.5 -51.59 66.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.749 0.309 . . . . 0.0 111.068 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -69.59 -29.53 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.183 0.516 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.53 -29.89 65.29 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.855 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.99 -35.89 81.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.022 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -61.72 -29.66 70.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.305 0.574 . . . . 0.0 110.106 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -71.47 -39.37 70.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.511 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.413 HG22 HG22 ' B' ' 24' ' ' VAL . 16.5 t -69.66 -40.46 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.018 0.437 . . . . 0.0 109.989 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.91 97.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.004 -175.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' O ' HD13 ' A' ' 30' ' ' LEU . 1.5 ptm180 -65.65 -43.51 89.19 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 111.253 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.699 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 22.9 mt -70.35 -39.9 74.38 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.602 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -49.79 -47.19 51.31 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.281 0.363 . . . . 0.0 111.705 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 26' ' ' ARG . 62.0 pttt -77.03 -24.8 52.04 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 26' ' ' ARG . 7.5 mp -75.24 -31.94 60.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.813 0.339 . . . . 0.0 110.815 178.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 27' ' ' LEU . 45.4 t -78.45 -24.53 13.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.293 0.568 . . . . 0.0 109.55 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.91 -54.58 3.84 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.027 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.553 -0.737 . . . . 0.0 110.23 179.397 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m 72.8 12.86 5.2 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.942 0.497 . . . . 0.0 110.764 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.3 mmt -66.73 -30.6 70.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.331 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.72 -51.04 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.761 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.61 -34.85 78.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.15 -176.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.69 -43.42 72.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 44.0 mt-10 -67.15 -39.58 86.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.659 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.45 -26.66 67.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.857 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -70.08 -37.78 75.55 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.26 -44.32 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.981 175.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 6.7 mm-40 -64.49 -34.73 78.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.493 178.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -57.48 -54.67 44.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.407 173.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -68.7 -17.5 64.08 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.718 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 4.8 tt -72.29 -39.86 67.98 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 172.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 28.6 t -65.28 -36.1 83.04 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -56.82 -48.63 77.55 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.814 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.718 ' ND2' ' HA ' ' B' ' 14' ' ' LEU . 8.8 p30 -81.37 -33.07 32.59 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.23 -178.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -55.7 -51.49 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.613 0.244 . . . . 0.0 111.071 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -69.16 -30.68 68.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.244 0.545 . . . . 0.0 110.567 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 37.6 tp -70.62 -30.05 66.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.859 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.95 -35.58 81.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.181 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -61.78 -29.76 70.36 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.202 0.525 . . . . 0.0 110.128 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.51 -39.55 70.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.372 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.413 HG22 HG22 ' A' ' 24' ' ' VAL . 16.9 t -69.58 -40.05 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.116 0.484 . . . . 0.0 109.989 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.93 97.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.027 -175.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.52 ' O ' HD13 ' B' ' 30' ' ' LEU . 1.5 ptm180 -65.73 -43.58 88.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.912 0.387 . . . . 0.0 111.187 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.699 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 22.8 mt -70.27 -40.1 74.56 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.535 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -49.37 -47.73 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.535 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' B' ' 26' ' ' ARG . 62.0 pttt -76.95 -24.38 52.37 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.52 HD13 ' O ' ' B' ' 26' ' ' ARG . 7.4 mp -75.6 -31.95 60.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 178.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 27' ' ' LEU . 44.2 t -78.58 -24.54 13.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.427 0.632 . . . . 0.0 109.496 174.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.57 -54.87 3.82 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.985 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.95 179.34 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.236 -0.346 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -77.15 -38.54 51.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.979 0.419 . . . . 0.0 110.008 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 44.2 tpp -62.77 -36.73 84.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.48 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -63.66 -41.85 98.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.326 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -64.85 -36.4 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.191 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.74 -42.2 77.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.644 0.259 . . . . 0.0 110.7 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -62.12 -35.39 78.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.048 0.451 . . . . 0.0 110.528 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.79 -30.8 51.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -70.73 -44.62 66.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.587 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.44 -31.79 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.014 0.435 . . . . 0.0 110.557 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -74.74 -37.02 62.61 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -56.14 -43.95 78.76 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.517 174.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 7.5 mp -73.1 -12.47 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 174.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.88 -36.31 49.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 p -74.12 -28.32 61.29 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.843 172.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 63.4 tttp -55.94 -46.26 78.57 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 168.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -61.82 -45.7 92.71 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.928 174.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -55.89 -42.34 75.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.462 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -65.62 -42.75 91.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 110.101 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp -68.86 -32.87 72.85 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.243 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.61 -36.29 83.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.23 176.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.84 -31.12 70.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.401 0.62 . . . . 0.0 110.181 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -74.29 -34.39 63.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.601 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.501 HG22 HG22 ' B' ' 24' ' ' VAL . 20.8 t -68.79 -38.93 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.252 0.548 . . . . 0.0 109.731 176.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.66 -40.71 88.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.998 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.576 ' O ' HD13 ' A' ' 30' ' ' LEU . 10.8 ptp180 -63.59 -41.95 98.3 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-O 120.83 0.348 . . . . 0.0 110.819 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.722 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 23.4 mt -71.82 -41.44 68.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.681 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -49.68 -46.99 50.51 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.257 0.348 . . . . 0.0 111.395 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -76.69 -23.76 53.16 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 26' ' ' ARG . 6.8 mp -75.85 -33.96 60.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.703 0.287 . . . . 0.0 110.749 177.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 27' ' ' LEU . 43.2 t -75.73 -29.52 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.03 -50.03 5.34 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.051 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 123.006 0.522 . . . . 0.0 110.576 178.379 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -77.5 -38.56 48.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.085 0.469 . . . . 0.0 110.099 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 43.0 tpp -62.7 -36.65 83.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.479 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -63.78 -41.52 97.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.307 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -65.09 -36.49 84.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.068 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.66 -42.26 78.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.593 0.235 . . . . 0.0 110.763 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -62.13 -35.36 78.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.003 0.43 . . . . 0.0 110.6 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.86 -30.58 51.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -70.8 -44.77 65.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.526 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.25 -32.16 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.021 0.439 . . . . 0.0 110.584 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -74.59 -36.85 63.02 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -56.25 -44.12 79.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.462 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' B' ' 16' ' ' LYS . 7.5 mp -72.94 -12.42 60.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 174.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.92 -36.18 49.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -74.3 -28.2 61.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.818 172.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' B' ' 13' ' ' LEU . 63.4 tttp -55.99 -46.65 78.62 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 168.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.421 ' OD1' ' HG2' ' A' ' 16' ' ' LYS . 30.2 m-80 -61.4 -45.77 92.95 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.879 174.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -55.73 -42.18 74.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.523 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -66.03 -42.41 89.63 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.366 0.603 . . . . 0.0 110.09 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 50.3 tp -68.92 -33.07 73.14 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.135 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.68 -36.24 83.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.23 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.86 -31.01 70.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.152 0.501 . . . . 0.0 110.169 175.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -74.3 -34.59 63.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.602 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 24' ' ' VAL . 21.2 t -68.61 -39.22 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.252 0.548 . . . . 0.0 109.673 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.5 89.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.018 -176.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.584 ' O ' HD13 ' B' ' 30' ' ' LEU . 10.7 ptp180 -63.82 -41.92 97.77 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.883 0.373 . . . . 0.0 110.794 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.722 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 23.7 mt -71.61 -41.65 68.63 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.64 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -49.59 -46.89 49.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.681 0.277 . . . . 0.0 111.48 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -76.81 -23.73 52.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.584 HD13 ' O ' ' B' ' 26' ' ' ARG . 6.8 mp -75.84 -34.21 60.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.75 0.31 . . . . 0.0 110.734 177.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.439 HG11 HD23 ' A' ' 30' ' ' LEU . 44.9 t -75.72 -29.29 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 110.026 175.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.92 -50.25 5.28 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.85 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 122.983 0.513 . . . . 0.0 110.698 178.568 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t 66.78 30.98 7.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 109.591 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.518 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 14.2 tpt -63.95 -44.76 91.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.926 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -63.52 -37.14 86.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.364 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -60.11 -45.11 94.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.733 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.47 -34.67 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.856 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 3' ' ' MET . 20.1 mm-40 -66.47 -39.14 88.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.711 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -73.66 -32.01 63.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.803 0.335 . . . . 0.0 110.544 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -61.94 -52.02 65.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.86 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.11 -35.41 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.054 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.88 -35.13 76.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.879 0.371 . . . . 0.0 110.382 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.83 -52.06 66.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.048 176.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.473 ' HG ' ' HD3' ' A' ' 16' ' ' LYS . 7.0 mp -66.72 -32.14 73.25 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.636 175.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.1 tm? -56.87 -40.0 75.35 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.4 m -68.57 -40.07 80.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.448 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 29.0 mtpp -60.69 -54.2 48.21 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -70.52 -17.98 62.95 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.106 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -76.16 -48.41 20.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.202 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.602 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 26.4 m80 -64.36 -42.76 96.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.679 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.9 mm? -66.32 -33.4 75.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.823 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' B' ' 20' ' ' LEU . 38.6 tt0 -62.24 -40.61 96.76 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -65.3 -29.04 69.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.57 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 50.6 mm-40 -72.59 -37.74 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 20' ' ' LEU . 15.5 t -70.93 -23.53 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 109.983 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.01 -31.12 39.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 109.862 172.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.508 ' HG3' HD12 ' A' ' 27' ' ' LEU . 17.0 tpt180 -63.34 -56.16 18.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.955 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 31' ' ' VAL . 10.3 mp -65.19 -27.74 68.9 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.407 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -56.94 -38.47 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.38 . . . . 0.0 110.579 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -71.91 -33.42 68.28 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.623 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.7 -28.57 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.734 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 27' ' ' LEU . 55.0 t -77.95 -25.94 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.2 0.524 . . . . 0.0 109.993 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.96 -55.73 1.95 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.577 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.249 -177.341 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t 66.92 31.3 7.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.54 0.686 . . . . 0.0 109.608 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' MET . . . . . 0.522 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 14.1 tpt -63.96 -44.96 91.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.944 -175.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -63.23 -37.15 86.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -60.35 -44.87 95.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.639 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.61 -34.91 74.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.8 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' B' ' 3' ' ' MET . 19.2 mm-40 -66.29 -38.95 88.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.719 177.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.09 -31.39 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.583 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.45 -52.04 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.803 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.81 -35.86 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.07 -178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.52 -35.13 77.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.79 0.328 . . . . 0.0 110.422 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.97 -52.22 65.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.048 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.474 ' HG ' ' HD3' ' B' ' 16' ' ' LYS . 7.0 mp -66.42 -32.04 73.17 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.714 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.424 ' C ' HD13 ' B' ' 14' ' ' LEU . 3.1 tm? -57.03 -39.9 75.68 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 171.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -68.73 -39.96 80.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.431 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.474 ' HD3' ' HG ' ' B' ' 13' ' ' LEU . 29.0 mtpp -60.67 -54.3 47.03 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -70.59 -17.98 62.9 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.087 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -76.1 -48.31 21.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.182 175.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.606 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 26.7 m80 -64.59 -42.64 95.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.687 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.9 mm? -66.28 -33.21 75.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.82 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 20' ' ' LEU . 39.3 tt0 -62.6 -40.35 96.63 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.183 0.516 . . . . 0.0 109.686 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -65.64 -28.65 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.602 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 48.0 mm-40 -72.78 -37.64 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.012 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 20' ' ' LEU . 15.5 t -71.12 -23.32 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.207 0.527 . . . . 0.0 109.962 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.29 -30.68 38.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.458 0.647 . . . . 0.0 109.862 172.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.509 ' HG3' HD12 ' B' ' 27' ' ' LEU . 16.7 tpt180 -63.67 -56.51 15.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.801 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 31' ' ' VAL . 10.3 mp -64.98 -27.92 69.16 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.351 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -56.84 -38.47 72.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.579 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -72.06 -33.04 67.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.697 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.84 -28.34 66.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.009 0.433 . . . . 0.0 110.751 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 27' ' ' LEU . 55.3 t -78.27 -25.8 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.168 0.508 . . . . 0.0 109.979 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.03 -55.82 1.93 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.596 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.251 -177.424 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -147.43 -60.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.641 0.221 . . . . 0.0 110.549 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 34.3 tpp -57.24 -52.84 63.7 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.582 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -62.98 -37.99 89.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.047 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.604 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 28.0 mt-30 -70.44 -43.39 70.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.965 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 6' ' ' LEU . 2.1 tm? -64.91 -37.07 86.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.122 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.18 -27.91 67.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 110.931 176.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.02 -29.34 55.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.535 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 34.1 mmtp -66.31 -44.06 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.708 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.81 -33.39 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.931 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.42 -38.34 63.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.857 0.36 . . . . 0.0 110.164 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.39 -51.06 71.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 4.1 mt -67.98 -29.04 67.97 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.7 tm? -61.91 -43.92 97.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 172.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.1 p -72.72 -33.03 66.15 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.226 176.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 53.1 mtpt -59.33 -52.27 66.37 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.347 174.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.5 -42.1 86.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.832 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -63.41 -47.27 82.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.997 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -69.93 -32.1 70.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.177 0.513 . . . . 0.0 110.526 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -72.77 -32.56 65.71 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.493 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.6 -32.91 74.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.218 0.532 . . . . 0.0 109.813 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -66.98 -27.37 67.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.286 174.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' HD13 ' A' ' 27' ' ' LEU . 38.8 tt0 -76.25 -32.26 58.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.418 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG22 HG22 ' B' ' 24' ' ' VAL . 21.4 t -69.63 -37.34 74.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.17 92.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.634 -176.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -61.66 -41.79 98.03 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.395 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 23' ' ' GLU . 10.9 mp -62.01 -36.54 81.86 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.861 175.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -61.15 -27.84 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -74.05 -26.8 60.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.092 0.472 . . . . 0.0 110.409 175.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.46 -31.48 37.37 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.731 176.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 27' ' ' LEU . 27.9 t -86.44 -31.75 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.14 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.15 -41.17 0.2 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.487 -0.863 . . . . 0.0 113.388 -174.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 119.24 -0.41 . . . . 0.0 110.801 -178.2 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t -147.47 -60.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.707 0.253 . . . . 0.0 110.626 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 34.9 tpp -57.38 -52.77 64.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.599 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -63.24 -37.63 87.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 111.018 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 28.0 mt-30 -70.63 -43.37 69.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.879 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 6' ' ' LEU . 2.1 tm? -65.0 -37.18 86.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.064 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.06 -28.26 68.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.011 0.434 . . . . 0.0 110.837 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.81 -29.06 55.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.557 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 34.1 mmtp -66.58 -43.94 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.823 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.93 -33.5 61.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.876 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.48 -37.94 63.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.694 0.283 . . . . 0.0 110.308 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.61 -51.22 70.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.445 ' HA ' ' HB2' ' B' ' 16' ' ' LYS . 4.1 mt -67.77 -29.32 68.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 177.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.72 -43.97 97.82 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 172.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.1 p -72.76 -33.07 66.08 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.321 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.445 ' HB2' ' HA ' ' B' ' 13' ' ' LEU . 53.1 mtpt -59.07 -52.41 65.88 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.243 174.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.47 -42.19 86.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.824 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.29 -47.37 82.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.968 0.413 . . . . 0.0 111.062 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.79 -32.38 70.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.129 0.49 . . . . 0.0 110.419 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.7 tp -72.68 -32.35 65.75 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.427 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.78 -32.95 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.172 0.511 . . . . 0.0 109.733 174.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -66.85 -27.41 67.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.283 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.497 ' O ' HD13 ' B' ' 27' ' ' LEU . 39.3 tt0 -76.22 -32.27 58.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.465 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.507 HG22 HG22 ' A' ' 24' ' ' VAL . 21.5 t -69.31 -37.71 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.48 93.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.655 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -61.43 -42.02 98.09 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.598 0.237 . . . . 0.0 111.291 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.499 ' O ' HG23 ' B' ' 31' ' ' VAL . 10.9 mp -61.91 -36.53 81.6 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.861 175.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' HG3' HD21 ' A' ' 27' ' ' LEU . 56.8 mtpt -60.98 -28.32 68.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -73.91 -27.09 60.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.062 0.458 . . . . 0.0 110.286 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.72 -31.81 41.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 27' ' ' LEU . 28.5 t -86.15 -31.87 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.178 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.17 -40.99 0.2 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.506 -174.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 119.191 -0.433 . . . . 0.0 110.544 -178.118 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.756 -0.538 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m -124.47 -66.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.24 -158.39 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.706 0.802 . . . . 0.0 112.672 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -70.56 -34.64 72.46 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 -176.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -56.47 -58.69 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.189 -176.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.522 HD13 HD13 ' B' ' 6' ' ' LEU . 4.3 mm? -63.63 -47.58 80.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -175.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.52 -38.9 82.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.37 . . . . 0.0 111.711 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -80.66 -8.91 59.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.894 -176.24 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB3' ' HB ' ' B' ' 10' ' ' VAL . 14.3 mptt -100.58 -61.19 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.854 0.359 . . . . 0.0 111.757 173.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 6' ' ' LEU . 8.7 p -66.24 -40.17 86.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.161 -170.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.24 -33.91 32.51 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.262 0.553 . . . . 0.0 109.864 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 2.1 tm-20 -56.44 -51.54 68.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.689 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.632 HD23 ' HZ1' ' A' ' 16' ' ' LYS . 4.3 mp -73.5 -9.99 59.25 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.67 -14.21 61.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -52.19 -44.9 64.92 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.309 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.632 ' HZ1' HD23 ' A' ' 13' ' ' LEU . 15.6 pttm -64.38 -12.9 47.37 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' HB2' ' HE3' ' B' ' 16' ' ' LYS . 33.5 t-20 -63.76 -46.36 85.62 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.5 0.667 . . . . 0.0 109.249 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -76.85 -39.93 49.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.927 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.542 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 64.4 m170 -62.3 -53.16 59.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.716 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 1.9 mm? -65.99 -34.28 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.997 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.66 -39.41 93.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.893 0.378 . . . . 0.0 110.137 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -67.01 -23.73 65.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.0 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 19.6 mm-40 -77.13 -46.69 22.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 20' ' ' LEU . 43.8 t -63.68 -39.58 85.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.677 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 28' ' ' LYS . . . -69.72 -29.52 66.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.855 -177.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 18.6 ptt180 -70.56 -39.73 73.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.361 0.601 . . . . 0.0 109.908 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 3.8 mt -67.9 -31.9 72.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.168 176.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 42.5 mmtm -51.36 -42.5 61.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.981 0.42 . . . . 0.0 110.835 172.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -76.13 -23.09 54.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.404 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.1 mt -80.23 -37.78 32.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.697 0.284 . . . . 0.0 110.828 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.2 t -82.85 -30.74 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.03 0.443 . . . . 0.0 110.417 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.21 -45.3 4.14 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.557 -176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.665 -178.312 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -124.55 -66.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.52 -158.41 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.689 0.796 . . . . 0.0 112.615 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -70.37 -34.94 73.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.937 -176.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -56.51 -58.35 8.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.32 -175.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 6' ' ' LEU . 4.3 mm? -63.75 -47.46 80.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.63 -39.13 83.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.7 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -80.27 -9.06 59.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.442 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.444 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 14.3 mptt -100.65 -61.16 1.4 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.759 0.314 . . . . 0.0 111.672 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.516 HG12 ' O ' ' B' ' 6' ' ' LEU . 8.5 p -66.28 -40.08 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.226 -170.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.09 -34.51 32.59 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 109.651 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' B' ' 8' ' ' ASP . 2.3 tm-20 -56.22 -51.49 67.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.647 175.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.642 HD23 ' HZ1' ' B' ' 16' ' ' LYS . 4.3 mp -73.49 -10.0 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 175.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.47 -14.17 61.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.4 p -52.36 -44.68 65.37 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.234 174.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.642 ' HZ1' HD23 ' B' ' 13' ' ' LEU . 15.6 pttm -64.56 -13.08 51.18 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.453 ' HB2' ' HE3' ' A' ' 16' ' ' LYS . 33.4 t-20 -63.6 -46.55 85.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.507 0.67 . . . . 0.0 109.202 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -76.67 -39.77 51.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.0 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 64.6 m170 -62.53 -53.22 57.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.614 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 1.9 mm? -65.87 -34.42 78.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.42 -39.49 93.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.974 0.416 . . . . 0.0 110.176 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -67.19 -23.31 65.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.032 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 19.5 mm-40 -77.38 -46.77 21.71 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 20' ' ' LEU . 43.8 t -63.64 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' B' ' 28' ' ' LYS . . . -69.68 -29.2 66.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.933 -177.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 18.6 ptt180 -70.7 -39.8 73.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.263 0.554 . . . . 0.0 109.768 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 3.9 mt -67.86 -31.88 72.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.271 176.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' B' ' 25' ' ' ALA . 42.6 mmtm -51.12 -42.87 60.99 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.943 0.402 . . . . 0.0 110.751 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -75.94 -23.42 55.43 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.37 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -80.0 -37.75 33.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.726 0.298 . . . . 0.0 110.853 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 37.1 t -83.01 -30.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.368 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.26 -45.37 4.11 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.464 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.63 -178.259 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.663 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 23.1 t -138.4 -83.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.0 mtp 58.9 174.12 0.07 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.89 0.852 . . . . 0.0 112.818 174.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -70.43 -32.43 70.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.915 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -66.63 -47.02 73.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.24 -173.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.663 ' HB2' ' O ' ' A' ' 2' ' ' SER . 7.1 mp -70.31 -34.06 72.27 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.019 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HG3' ' OE1' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -60.85 -46.38 90.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.201 177.637 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 13.2 m-20 -73.66 -20.11 60.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HD2' HD23 ' B' ' 6' ' ' LEU . 91.9 mttt -98.28 -55.2 2.83 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.548 ' O ' HD23 ' A' ' 14' ' ' LEU . 60.9 t -67.48 -52.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.178 -175.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 45.9 mt-10 -68.65 -19.16 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.8 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 9.9 tp10 -59.94 -53.15 61.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.282 172.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.406 HD23 ' OD1' ' B' ' 17' ' ' ASN . 6.2 mp -67.89 -26.83 66.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 175.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -52.9 -48.38 67.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 110.431 173.655 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 p -76.39 -33.11 58.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -61.64 -52.02 66.07 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.872 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.598 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -78.38 -16.29 57.8 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.523 -178.775 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.539 ' N ' HD22 ' A' ' 17' ' ' ASN . 74.4 t80 -63.73 -55.99 19.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.708 0.289 . . . . 0.0 110.467 175.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -67.5 -35.8 79.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.453 0.644 . . . . 0.0 110.021 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.639 HD11 HD11 ' B' ' 20' ' ' LEU . 0.3 OUTLIER -52.33 -46.31 66.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.096 172.844 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.552 ' N ' HD13 ' A' ' 20' ' ' LEU . 43.6 mt-10 -67.3 -18.3 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.362 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -71.35 -32.99 69.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.401 0.62 . . . . 0.0 109.396 172.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.662 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 40.5 tt0 -75.25 -33.13 61.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.791 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.591 HG22 HG22 ' B' ' 24' ' ' VAL . 8.9 t -66.19 -35.43 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.43 -30.33 64.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.812 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.662 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -63.7 -43.65 95.97 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.248 0.547 . . . . 0.0 109.596 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 24.9 mt -72.59 -44.45 62.01 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.225 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -52.74 -42.84 65.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.606 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.607 ' HA ' ' CA ' ' A' ' 33' ' ' GLU . 23.0 pttp -76.43 -24.34 53.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.452 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 65.6 mt -72.32 -31.38 65.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.917 0.389 . . . . 0.0 110.887 175.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 27' ' ' LEU . 17.2 t -84.69 -27.1 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -174.81 -30.65 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.567 -1.302 . . . . 0.0 114.284 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.607 ' CA ' ' HA ' ' A' ' 29' ' ' LYS . 38.6 tt0 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 117.239 0.519 . . . . 0.0 110.657 -173.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 112.348 -0.301 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.663 ' O ' ' HB2' ' B' ' 6' ' ' LEU . 22.6 t -138.03 -83.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 74.7 mtp 58.68 174.55 0.07 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.746 0.784 . . . . 0.0 112.943 174.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -70.9 -32.18 69.05 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.347 0.594 . . . . 0.0 109.922 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -66.54 -46.96 74.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.319 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.663 ' HB2' ' O ' ' B' ' 2' ' ' SER . 7.1 mp -70.57 -34.06 71.79 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.073 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.435 ' HG3' ' OE1' ' B' ' 11' ' ' GLU . 0.4 OUTLIER -60.72 -46.58 89.87 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.106 177.566 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 11.7 m-20 -73.5 -20.22 60.73 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -175.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.425 ' HD2' HD23 ' A' ' 6' ' ' LEU . 91.7 mttt -98.19 -55.34 2.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.795 -178.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.543 ' O ' HD23 ' B' ' 14' ' ' LEU . 60.9 t -67.26 -52.37 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.632 0.253 . . . . 0.0 111.267 -175.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 14' ' ' LEU . 45.4 mt-10 -68.5 -19.66 64.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.788 0.328 . . . . 0.0 110.693 -177.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' B' ' 8' ' ' ASP . 10.1 tp10 -59.31 -53.31 59.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.232 172.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.404 ' HG ' ' HE3' ' B' ' 16' ' ' LYS . 6.3 mp -67.77 -27.03 66.42 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.543 HD23 ' O ' ' B' ' 10' ' ' VAL . 0.2 OUTLIER -52.75 -48.27 66.86 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.928 0.394 . . . . 0.0 110.466 173.546 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 4.3 p -76.54 -32.95 58.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.404 ' HE3' ' HG ' ' B' ' 13' ' ' LEU . 27.9 ttpp -62.11 -51.4 68.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.965 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.588 ' HA ' ' HB3' ' B' ' 20' ' ' LEU . 0.2 OUTLIER -78.58 -16.46 57.39 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.56 -179.099 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.547 ' N ' HD22 ' B' ' 17' ' ' ASN . 73.8 t80 -63.59 -56.13 18.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.746 0.308 . . . . 0.0 110.555 175.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -67.16 -36.05 80.99 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.411 0.624 . . . . 0.0 109.96 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -52.23 -46.44 65.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.067 172.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.551 ' N ' HD13 ' B' ' 20' ' ' LEU . 43.6 mt-10 -67.15 -18.23 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.288 -176.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -71.57 -32.68 68.34 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 40.3 tt0 -75.7 -32.93 60.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.705 -178.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 24' ' ' VAL . 8.7 t -66.26 -35.46 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.59 -29.99 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.752 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 0.3 OUTLIER -64.11 -43.4 95.42 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 121.355 0.598 . . . . 0.0 109.522 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 24.7 mt -72.67 -44.47 61.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.341 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -52.66 -42.69 64.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.567 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.606 ' HA ' ' CA ' ' B' ' 33' ' ' GLU . 22.9 pttp -76.61 -24.29 53.42 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.466 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 64.3 mt -72.45 -31.22 65.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.86 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 27' ' ' LEU . 17.4 t -84.39 -28.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.789 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.48 -30.71 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 119.643 -1.265 . . . . 0.0 114.242 -177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.606 ' CA ' ' HA ' ' B' ' 29' ' ' LYS . 38.1 tt0 . . . . . 0 C--O 1.247 0.945 0 CA-C-N 117.177 0.489 . . . . 0.0 110.863 -173.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m 74.48 12.21 3.91 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.415 0.626 . . . . 0.0 110.665 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.5 tpt -79.06 -52.53 8.08 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.866 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 4.3 ttmp? -66.57 -46.52 75.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.844 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 1.5 mp0 -58.48 -46.09 87.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.249 -177.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.563 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 8.6 mp -68.71 -33.4 73.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.182 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -64.65 -38.06 89.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.93 0.395 . . . . 0.0 110.414 174.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 5.8 m-20 -68.86 -36.62 78.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 177.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.1 mttm -59.43 -61.25 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.433 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -56.73 -39.53 64.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.694 0.283 . . . . 0.0 110.815 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 39.5 tt0 -63.03 -50.7 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.691 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 15' ' ' SER . 44.9 mt-10 -60.89 -46.85 88.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.151 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' B' ' 14' ' ' LEU . 6.4 mp -74.05 -14.25 60.97 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -177.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' HA ' HD22 ' A' ' 17' ' ' ASN . 4.6 pp -88.28 -17.15 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.736 169.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.538 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 33.8 t -68.55 -46.07 70.47 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.686 171.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HE3' ' CG ' ' B' ' 17' ' ' ASN . 55.8 pttt -65.8 -19.8 66.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 119.861 -0.736 . . . . 0.0 111.477 176.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.526 HD22 ' HA ' ' A' ' 14' ' ' LEU . 8.6 m-80 -65.06 -38.58 91.27 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -65.55 -42.71 91.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.927 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -65.29 -38.38 90.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.236 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -43.4 98.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.452 174.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -64.87 -36.05 83.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.228 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.15 -27.37 68.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.753 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 44.5 mt-10 -77.63 -40.53 41.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.042 177.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -67.82 -34.44 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.618 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -72.85 -37.3 67.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.437 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 6.8 ptp180 -68.88 -42.39 77.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.191 0.519 . . . . 0.0 110.654 -176.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 29.2 mt -65.49 -40.88 93.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.508 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -48.28 -41.43 27.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.044 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 25' ' ' ALA . 14.0 mptt -69.22 -40.98 77.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.911 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 26' ' ' ARG . 4.1 mm? -62.72 -35.01 78.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.416 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 27' ' ' LEU . 61.5 t -70.16 -28.91 37.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.839 0.352 . . . . 0.0 110.736 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.81 44.62 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.198 -1.001 . . . . 0.0 112.798 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 1.1 tm-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 119.071 -0.49 . . . . 0.0 110.511 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m 74.65 12.69 3.7 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.444 0.64 . . . . 0.0 110.671 175.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 17.8 tpt -79.18 -52.93 7.5 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.848 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 4.3 ttmp? -66.24 -46.48 77.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.788 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.72 -46.01 88.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.295 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 8.6 mp -68.81 -33.25 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -64.83 -37.99 89.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 110.35 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.6 -36.87 79.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.491 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.29 -61.34 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.165 0.291 . . . . 0.0 111.453 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.64 -39.6 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 0.0 110.787 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.84 -50.43 70.97 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' B' ' 15' ' ' SER . 45.0 mt-10 -61.3 -46.95 88.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.037 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 14' ' ' LEU . 6.4 mp -73.97 -14.44 61.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.535 ' HA ' HD22 ' B' ' 17' ' ' ASN . 4.6 pp -88.13 -17.11 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.728 169.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.548 ' HB3' ' O ' ' B' ' 12' ' ' GLU . 34.5 t -68.26 -46.4 70.52 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.614 171.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.427 ' HE3' ' CG ' ' A' ' 17' ' ' ASN . 56.6 pttt -65.87 -19.65 65.95 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.846 -0.742 . . . . 0.0 111.365 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.535 HD22 ' HA ' ' B' ' 14' ' ' LEU . 8.6 m-80 -65.06 -38.68 91.6 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.725 0.298 . . . . 0.0 110.863 174.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -65.62 -42.7 91.26 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -65.3 -38.12 89.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.154 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -43.17 99.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.424 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -65.1 -36.03 83.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.215 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -61.18 -27.33 68.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 44.2 mt-10 -77.52 -40.74 41.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.092 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.9 t -67.79 -34.37 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.236 0.541 . . . . 0.0 110.642 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' B' ' 29' ' ' LYS . . . -72.72 -37.59 67.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.488 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 6.6 ptp180 -68.66 -42.34 78.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.176 0.512 . . . . 0.0 110.784 -176.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 29.1 mt -65.6 -40.65 92.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.616 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -48.41 -41.09 28.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.052 176.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' B' ' 25' ' ' ALA . 13.8 mptt -69.77 -40.89 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.834 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.42 HD23 ' O ' ' B' ' 26' ' ' ARG . 4.1 mm? -62.39 -35.24 78.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.445 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 27' ' ' LEU . 61.1 t -70.33 -28.45 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.869 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.74 44.41 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.976 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.958 -0.544 . . . . 0.0 110.349 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 6.0 p -116.28 -59.58 1.96 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.784 0.326 . . . . 0.0 111.411 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -71.36 -26.55 62.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -174.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -58.89 -52.93 63.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.718 0.294 . . . . 0.0 111.789 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -98.01 -44.27 6.72 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.876 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.511 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 3.8 mm? -68.65 -46.36 69.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -65.72 -28.29 68.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 1.1 m-20 -70.56 -33.01 70.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.354 176.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -68.59 -38.08 80.36 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 6' ' ' LEU . 46.2 t -62.87 -49.51 83.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.942 173.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -56.98 -40.68 77.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.879 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 45.9 mt-10 -60.64 -50.53 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.603 176.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.3 -29.67 66.48 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.2 tm? -64.91 -40.29 94.84 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 171.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.3 t -62.43 -45.9 91.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.402 174.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -60.84 -48.38 82.06 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.05 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -51.41 -38.56 54.13 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.013 0.525 . . . . 0.0 111.342 177.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.74 -57.55 4.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.659 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 46.3 m80 -64.39 -33.76 76.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.258 -176.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 57.3 tp -73.88 -35.11 64.68 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.681 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.68 -33.83 75.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.206 0.527 . . . . 0.0 109.645 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -66.43 -25.88 66.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.145 175.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.57 ' HA ' ' HG3' ' A' ' 26' ' ' ARG . 46.5 mt-10 -70.53 -42.45 71.21 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.582 HG22 HG22 ' B' ' 24' ' ' VAL . 4.8 t -63.43 -31.35 52.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.12 -24.9 58.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.74 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.57 ' HG3' ' HA ' ' A' ' 23' ' ' GLU . 82.4 mtt180 -62.64 -51.5 67.01 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.624 0.726 . . . . 0.0 109.268 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 31' ' ' VAL . 9.2 mp -68.02 -25.87 65.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.668 -176.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -53.74 -43.46 69.15 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.147 0.499 . . . . 0.0 110.397 174.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 8.1 mtpm? -70.01 -32.46 70.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.764 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -71.62 -33.56 69.08 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.218 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 27' ' ' LEU . 41.3 t -79.34 -27.49 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.183 0.516 . . . . 0.0 110.082 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.97 66.12 0.03 OUTLIER Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.805 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.732 171.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' B' ' 6' ' ' LEU . 5.4 p -116.88 -59.53 1.95 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.7 0.286 . . . . 0.0 111.397 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -71.48 -26.53 62.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -59.13 -52.35 66.09 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -98.33 -44.42 6.55 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' B' ' 2' ' ' SER . 3.8 mm? -68.7 -46.46 68.95 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -173.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.59 -28.38 69.1 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 1.1 m-20 -70.49 -33.02 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.323 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -68.65 -37.99 80.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 6' ' ' LEU . 45.6 t -62.73 -49.5 83.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.01 173.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -57.01 -40.94 77.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.813 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 46.0 mt-10 -60.34 -50.58 73.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.638 176.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.19 -29.69 66.61 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.418 ' C ' HD13 ' B' ' 14' ' ' LEU . 3.2 tm? -64.83 -40.68 95.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 171.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -62.21 -45.81 91.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.342 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -60.8 -48.34 82.25 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.073 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -51.56 -38.98 56.91 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.042 0.537 . . . . 0.0 111.323 177.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -69.28 -57.63 5.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' HIS . . . . . 0.444 ' O ' ' HG3' ' B' ' 23' ' ' GLU . 46.3 m80 -64.31 -33.75 76.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -176.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 57.3 tp -73.83 -35.12 64.8 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.638 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.87 -33.77 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.286 0.565 . . . . 0.0 109.651 176.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -66.34 -25.93 67.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.16 175.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.571 ' HA ' ' HG3' ' B' ' 26' ' ' ARG . 45.6 mt-10 -70.48 -42.3 71.58 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.04 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.582 HG22 HG22 ' A' ' 24' ' ' VAL . 4.8 t -63.43 -31.45 52.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.03 -24.93 58.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.752 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.571 ' HG3' ' HA ' ' B' ' 23' ' ' GLU . 82.2 mtt180 -62.35 -52.18 64.67 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.757 0.789 . . . . 0.0 109.191 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.604 ' O ' HG23 ' B' ' 31' ' ' VAL . 9.1 mp -67.37 -26.14 66.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.703 -176.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -53.62 -43.15 68.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.108 0.48 . . . . 0.0 110.384 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 8.1 mtpm? -70.62 -31.89 69.02 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.72 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.99 -33.56 68.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.123 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 27' ' ' LEU . 41.4 t -79.39 -27.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.078 0.466 . . . . 0.0 110.186 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.69 66.47 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.533 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.933 170.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 m -78.35 -31.67 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.729 0.3 . . . . 0.0 111.056 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.5 mmt -57.71 -35.91 71.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.793 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -52.36 -57.85 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.367 0.417 . . . . 0.0 111.147 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -74.16 -32.62 63.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.748 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.28 -37.66 83.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -35.0 78.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.916 0.389 . . . . 0.0 110.379 175.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 12.8 m-20 -70.62 -31.66 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.488 176.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 88.6 tttt -61.34 -46.55 89.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG22 HG22 ' B' ' 10' ' ' VAL . 59.2 t -62.08 -40.53 87.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.012 0.434 . . . . 0.0 110.376 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 47.3 mt-10 -64.82 -34.72 79.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.54 177.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 15.8 mm-40 -57.3 -48.12 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 173.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.411 HD23 HD22 ' B' ' 17' ' ' ASN . 7.6 mp -66.62 -22.58 66.11 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 2.8 mt -60.36 -42.85 96.62 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.041 171.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.1 p -65.51 -36.87 85.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.299 -0.561 . . . . 0.0 109.565 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -57.84 -49.01 78.09 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.507 171.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.422 HD22 HD23 ' B' ' 13' ' ' LEU . 87.3 m-20 -57.86 -56.54 20.68 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.033 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -63.36 -39.36 94.31 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -63.79 -45.78 88.16 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.465 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.601 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.5 mm? -67.81 -35.4 78.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.754 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.07 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.117 0.484 . . . . 0.0 110.312 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -71.38 -24.17 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.557 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' HD13 ' A' ' 27' ' ' LEU . 10.2 tp10 -74.8 -39.94 61.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.734 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -70.61 -37.54 70.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.4 177.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.82 97.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.876 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.511 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 11.6 ptm180 -66.85 -44.32 81.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.303 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.632 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 10.9 mp -64.93 -34.45 78.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.861 177.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -55.56 -39.3 70.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.973 0.416 . . . . 0.0 110.457 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -79.42 -24.76 42.28 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.1 mt -72.83 -34.1 66.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.825 0.345 . . . . 0.0 110.183 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 27' ' ' LEU . 60.7 t -75.08 -28.16 20.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.127 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.27 -43.92 6.09 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.473 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.506 -179.586 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.7 m -77.84 -31.76 51.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.628 0.252 . . . . 0.0 111.047 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.4 mmt -57.7 -35.77 71.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.688 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -52.63 -57.71 9.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.411 . . . . 0.0 111.019 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -74.38 -32.55 62.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.8 tp -67.12 -37.66 84.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.899 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.79 -34.62 77.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.334 175.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 12.3 m-20 -70.99 -31.71 68.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.303 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 88.5 tttt -61.29 -46.62 89.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.724 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' VAL . . . . . 0.495 HG22 HG22 ' A' ' 10' ' ' VAL . 59.1 t -62.01 -40.28 86.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.025 0.441 . . . . 0.0 110.415 177.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' B' ' 14' ' ' LEU . 47.8 mt-10 -64.9 -35.12 80.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.4 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' B' ' 9' ' ' LYS . 15.7 mm-40 -56.84 -48.1 78.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 173.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 17' ' ' ASN . 7.6 mp -66.82 -22.41 66.01 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.354 -0.539 . . . . 0.0 112.387 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' B' ' 11' ' ' GLU . 2.8 mt -60.52 -42.81 97.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.566 -0.453 . . . . 0.0 109.966 172.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 84.7 p -65.49 -36.84 85.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.585 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -57.97 -48.92 78.55 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.463 171.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ASN . . . . . 0.411 HD22 HD23 ' A' ' 13' ' ' LEU . 87.3 m-20 -57.93 -56.64 19.37 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.018 178.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -63.25 -39.31 94.25 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -63.67 -45.72 88.83 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.576 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.601 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.5 mm? -68.0 -35.44 78.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.819 178.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.05 -43.47 98.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.209 0.528 . . . . 0.0 110.212 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -71.27 -24.11 62.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.642 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.436 ' O ' HD13 ' B' ' 27' ' ' LEU . 10.2 tp10 -74.95 -39.74 61.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.799 -177.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.2 t -70.75 -37.72 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.219 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.53 96.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.962 -176.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 11.6 ptm180 -67.06 -44.28 80.54 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.349 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.632 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 10.9 mp -64.98 -34.21 77.9 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.802 177.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -55.9 -38.84 70.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.063 0.458 . . . . 0.0 110.495 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -79.58 -25.3 41.59 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.983 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 90.6 mt -72.38 -34.08 67.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.953 0.406 . . . . 0.0 110.18 176.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 27' ' ' LEU . 58.5 t -75.24 -27.73 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.203 176.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.19 -44.57 5.9 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.549 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.595 -179.66 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.4 t -145.68 -55.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.347 0.118 . . . . 0.0 110.737 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 7' ' ' GLU . 70.8 mtp -60.29 -28.43 68.08 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.47 -34.73 77.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.953 0.406 . . . . 0.0 110.403 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -69.19 -38.0 78.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.222 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.92 -42.61 94.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 3' ' ' MET . 48.3 mt-10 -62.31 -37.83 87.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.99 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -77.77 -23.79 49.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.88 0.371 . . . . 0.0 110.683 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -77.42 -47.63 19.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.52 -39.58 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.09 -34.56 78.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.854 0.359 . . . . 0.0 110.134 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.0 -54.59 39.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.438 ' HG ' ' HD3' ' A' ' 16' ' ' LYS . 6.9 mp -66.06 -29.45 69.79 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 2.9 tm? -59.74 -42.42 93.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 171.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -68.39 -37.63 80.55 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.733 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 29.6 mtpp -58.75 -55.65 32.32 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 121.311 -0.156 . . . . 0.0 111.214 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.463 ' ND2' ' HA ' ' A' ' 14' ' ' LEU . 7.7 p30 -69.66 -26.2 64.28 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.682 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -66.01 -51.24 60.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.838 0.351 . . . . 0.0 110.238 177.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 26.6 m-70 -70.28 -33.94 72.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.55 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.01 -36.25 79.66 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.696 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.78 -30.69 70.96 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.978 0.418 . . . . 0.0 110.206 176.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -66.89 -27.66 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.128 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 21.8 mm-40 -71.99 -40.77 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.019 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.539 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 33.2 t -59.66 -36.64 66.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 177.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.97 -25.59 62.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.499 -178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.2 ptt180 -76.39 -39.59 53.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 31' ' ' VAL . 10.6 mp -66.76 -26.29 66.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.008 175.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 34.3 mmtp -55.41 -39.38 70.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.627 0.251 . . . . 0.0 111.083 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 29' ' ' LYS . 4.5 mptp? -76.49 -30.86 57.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.793 0.33 . . . . 0.0 110.352 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.0 mt -69.79 -20.42 63.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.25 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 27' ' ' LEU . 58.8 t -94.06 -29.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.384 175.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.4 -34.92 8.26 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.707 -0.759 . . . . 0.0 113.585 -174.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.1 -0.952 . . . . 0.0 109.849 -175.629 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.773 -0.531 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -145.47 -55.16 0.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.444 0.122 . . . . 0.0 110.809 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.445 ' O ' ' HG3' ' B' ' 7' ' ' GLU . 70.5 mtp -60.5 -28.36 68.31 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -62.51 -34.58 77.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.371 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -69.46 -37.87 77.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.185 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.95 -42.44 94.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.445 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' B' ' 3' ' ' MET . 48.7 mt-10 -62.61 -37.49 86.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.027 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -78.28 -22.87 47.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.904 0.383 . . . . 0.0 110.802 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -78.12 -47.98 17.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.37 -39.6 84.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.781 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.05 -34.35 78.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.952 0.406 . . . . 0.0 110.214 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -62.35 -54.41 40.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.441 ' HG ' ' HD3' ' B' ' 16' ' ' LYS . 6.9 mp -66.05 -29.51 69.87 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 177.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.463 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 2.9 tm? -59.75 -42.4 93.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 171.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 21.9 m -68.58 -37.47 79.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.74 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.441 ' HD3' ' HG ' ' B' ' 13' ' ' LEU . 29.8 mtpp -58.71 -55.28 37.14 Favored 'General case' 0 CA--C 1.522 -0.13 0 C-N-CA 121.283 -0.167 . . . . 0.0 111.4 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.463 ' ND2' ' HA ' ' B' ' 14' ' ' LEU . 7.8 p30 -69.92 -26.42 64.14 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.569 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -65.82 -51.29 60.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.9 0.381 . . . . 0.0 110.289 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.408 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 27.0 m-70 -70.13 -34.01 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.612 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.05 -36.27 79.61 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.695 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -66.71 -30.7 71.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.016 0.436 . . . . 0.0 110.153 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -66.97 -27.6 67.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.111 176.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 21.4 mm-40 -71.75 -40.97 69.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.023 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' B' ' 28' ' ' LYS . 33.5 t -59.58 -36.67 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.224 0.535 . . . . 0.0 109.596 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.09 -25.09 62.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.605 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 16.2 ptt180 -76.96 -39.48 50.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.456 ' O ' HG23 ' B' ' 31' ' ' VAL . 10.5 mp -66.7 -26.56 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.048 175.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 34.4 mmtp -55.24 -39.34 69.61 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.724 0.297 . . . . 0.0 111.117 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' B' ' 29' ' ' LYS . 4.4 mptp? -76.63 -30.96 57.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.361 . . . . 0.0 110.307 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.21 -20.87 63.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.376 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.456 HG23 ' O ' ' B' ' 27' ' ' LEU . 59.1 t -93.94 -29.33 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.529 176.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.5 -34.94 8.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.438 -174.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--O 1.243 0.731 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.972 -175.487 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 m 71.4 25.51 3.45 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.075 0.465 . . . . 0.0 110.193 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.4 mmm -63.3 -34.37 77.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.8 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.94 -35.44 74.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.882 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 93.5 mt-30 -74.17 -44.3 54.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.85 -178.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.77 -43.57 98.6 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.673 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.54 -26.35 65.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.027 0.441 . . . . 0.0 110.63 -179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.11 -30.68 43.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.837 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.7 mttm -64.88 -47.27 78.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.653 0.263 . . . . 0.0 110.927 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -65.83 -35.56 75.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.789 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -74.69 -34.1 62.58 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.783 0.325 . . . . 0.0 110.635 177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -57.9 -57.57 12.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.829 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' HA ' ' CB ' ' A' ' 16' ' ' LYS . 6.5 mp -70.58 -23.84 62.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 178.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.436 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.2 tm? -61.04 -40.7 94.6 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 m -73.13 -34.39 66.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.984 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 13' ' ' LEU . 61.5 tttp -61.34 -55.0 36.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.18 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -68.23 -22.79 64.76 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 120.63 0.252 . . . . 0.0 110.624 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -64.79 -52.18 58.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.035 0.445 . . . . 0.0 110.307 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -67.61 -34.29 76.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 47.7 tp -71.0 -33.45 70.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.702 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.33 -37.84 83.94 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.052 0.454 . . . . 0.0 109.844 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 24.8 m-80 -67.43 -20.35 65.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.494 176.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 20' ' ' LEU . 11.0 tp10 -75.32 -39.8 59.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.216 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.608 HG22 HG22 ' B' ' 24' ' ' VAL . 18.1 t -67.08 -40.56 85.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.131 0.491 . . . . 0.0 109.936 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -41.45 95.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.034 -175.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 7.4 ptt180 -66.36 -41.02 90.09 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.114 -0.635 . . . . 0.0 111.402 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.612 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 11.0 mp -63.72 -35.99 82.38 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.748 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -56.13 -36.72 68.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.836 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -74.33 -34.06 63.34 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.15 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -68.44 -32.44 72.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.852 0.358 . . . . 0.0 110.435 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 27' ' ' LEU . 46.2 t -80.08 -28.69 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.05 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.03 -53.02 4.36 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.109 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.645 178.736 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.6 m 70.72 25.47 4.04 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.271 0.558 . . . . 0.0 110.558 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 86.4 mmm -63.61 -34.37 77.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.627 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.56 -35.83 75.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.79 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.51 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 95.0 mt-30 -74.09 -44.24 54.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.792 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.87 -43.6 98.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.636 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -68.44 -26.65 65.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.004 0.431 . . . . 0.0 110.594 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.69 -30.86 46.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 178.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 68.7 mttm -64.82 -47.41 78.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.631 0.253 . . . . 0.0 110.877 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.83 -35.02 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.863 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -75.05 -33.98 61.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.38 . . . . 0.0 110.541 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.26 -57.77 11.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.811 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.445 ' HA ' ' CB ' ' B' ' 16' ' ' LYS . 6.5 mp -70.21 -23.95 63.02 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.397 -0.521 . . . . 0.0 112.347 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.437 ' C ' HD13 ' B' ' 14' ' ' LEU . 3.2 tm? -61.02 -40.69 94.55 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 171.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 18.3 m -73.14 -34.24 65.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.105 174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.445 ' CB ' ' HA ' ' B' ' 13' ' ' LEU . 61.5 tttp -61.37 -55.15 34.76 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.181 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -68.22 -22.81 64.77 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-O 120.541 0.21 . . . . 0.0 110.609 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -64.71 -52.03 59.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.96 0.409 . . . . 0.0 110.267 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -67.8 -34.0 75.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.573 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' B' ' 23' ' ' GLU . 48.3 tp -71.41 -33.43 69.44 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.65 -178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -67.22 -38.1 84.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.033 0.444 . . . . 0.0 109.932 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.434 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 23.5 m-80 -67.07 -20.4 65.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.517 176.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' B' ' 20' ' ' LEU . 11.2 tp10 -75.45 -39.84 58.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.143 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.608 HG22 HG22 ' A' ' 24' ' ' VAL . 17.7 t -66.97 -40.68 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.086 0.47 . . . . 0.0 109.9 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.52 -41.49 94.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.1 -175.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 7.3 ptt180 -66.41 -40.9 89.87 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.325 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.612 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 11.0 mp -63.93 -35.77 81.77 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.703 176.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -56.08 -36.87 68.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 110.748 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -74.43 -34.1 63.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.108 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.405 HD13 ' O ' ' B' ' 26' ' ' ARG . 10.2 mp -68.4 -32.31 72.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.514 177.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 27' ' ' LEU . 46.1 t -80.16 -28.78 12.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.088 176.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.55 -53.68 4.26 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.08 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.74 179.352 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.934 -0.466 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t 63.2 36.8 11.73 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.503 0.668 . . . . 0.0 109.834 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.417 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -72.88 -23.61 60.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.397 -177.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -66.49 -43.48 85.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.2 0.524 . . . . 0.0 109.707 176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.81 -35.02 64.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.82 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.417 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 44.8 tp -66.23 -41.88 89.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.146 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.48 -28.85 66.43 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.268 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.35 -24.42 64.81 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.839 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -58.89 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.076 0.465 . . . . 0.0 109.999 176.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.12 -48.02 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.276 -176.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.57 -34.42 76.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.785 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.52 -56.03 21.83 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.192 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' B' ' 14' ' ' LEU . 2.3 mt -64.6 -34.62 78.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HA ' HD22 ' B' ' 13' ' ' LEU . 3.2 tm? -56.59 -39.54 73.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 172.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 m -72.1 -39.2 69.08 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.545 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HD3' HD23 ' A' ' 13' ' ' LEU . 29.4 mtpp -59.38 -51.83 68.22 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 121.084 -0.247 . . . . 0.0 111.582 -179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.15 -28.33 67.21 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.534 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -66.32 -44.91 82.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.013 0.435 . . . . 0.0 110.066 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -66.0 -46.26 78.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.852 179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' O ' HG23 ' A' ' 24' ' ' VAL . 4.6 mm? -67.08 -35.25 79.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.019 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -60.0 -48.37 82.0 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -65.6 -24.2 67.01 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.126 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 34.3 tt0 -81.99 -32.88 30.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.205 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 20' ' ' LEU . 84.6 t -63.98 -44.22 97.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 109.813 173.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.524 ' O ' ' HE3' ' A' ' 29' ' ' LYS . . . -59.74 -41.53 91.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.562 -177.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 7.1 ptp180 -61.75 -43.71 98.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 110.185 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 18.7 mt -70.45 -39.01 74.58 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.355 178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -49.93 -44.86 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.234 0.334 . . . . 0.0 111.266 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -76.44 -27.15 56.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.288 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 26' ' ' ARG . 6.5 mp -71.51 -36.49 71.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.567 0.222 . . . . 0.0 111.082 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' LEU . 28.7 t -77.56 -26.83 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.143 0.497 . . . . 0.0 109.897 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.77 -54.71 3.0 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.263 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.269 -177.313 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.7 t 63.43 36.68 11.23 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.512 0.672 . . . . 0.0 109.802 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.421 ' HA ' ' HB3' ' B' ' 6' ' ' LEU . 0.1 OUTLIER -72.79 -23.39 60.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.448 -177.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -66.74 -43.2 84.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.14 0.495 . . . . 0.0 109.708 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -74.2 -34.94 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.276 0.56 . . . . 0.0 109.843 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.421 ' HB3' ' HA ' ' B' ' 3' ' ' MET . 44.5 tp -66.09 -42.0 89.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.159 -178.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.43 -28.81 66.45 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.265 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -24.08 64.46 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 177.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -58.7 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.215 0.531 . . . . 0.0 109.969 176.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.26 -47.89 85.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.342 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.48 -34.73 77.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.829 -177.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.26 -56.19 20.97 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.138 179.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.465 HD23 ' HD3' ' B' ' 16' ' ' LYS . 2.3 mt -64.54 -34.4 78.16 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.504 ' HA ' HD22 ' A' ' 13' ' ' LEU . 3.2 tm? -56.51 -39.76 73.88 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 172.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 18.6 m -72.2 -38.75 68.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.635 174.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.465 ' HD3' HD23 ' B' ' 13' ' ' LEU . 29.5 mtpp -59.52 -51.78 68.39 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 121.105 -0.238 . . . . 0.0 111.596 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.28 -28.51 67.25 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.505 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -66.16 -44.96 82.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.146 0.498 . . . . 0.0 110.002 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -65.94 -45.96 79.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.976 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 24' ' ' VAL . 4.6 mm? -67.44 -35.09 78.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.063 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 20' ' ' LEU . 3.0 tm-20 -60.26 -48.11 83.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.142 0.496 . . . . 0.0 109.701 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -65.87 -24.03 66.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.115 178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 34.4 tt0 -82.15 -32.92 29.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.145 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.487 HG11 ' OE2' ' A' ' 23' ' ' GLU . 83.9 t -63.97 -44.55 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.105 0.479 . . . . 0.0 109.775 173.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.525 ' O ' ' HE3' ' B' ' 29' ' ' LYS . . . -59.5 -41.41 89.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.474 -177.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 7.0 ptp180 -61.84 -43.84 98.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.033 0.444 . . . . 0.0 110.105 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 19.0 mt -70.35 -38.85 74.9 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.292 178.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -50.06 -44.46 51.69 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.324 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.525 ' HE3' ' O ' ' B' ' 25' ' ' ALA . 0.0 OUTLIER -77.22 -26.75 53.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.272 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.573 HD13 ' O ' ' B' ' 26' ' ' ARG . 6.6 mp -71.35 -36.68 71.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.541 0.21 . . . . 0.0 111.047 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 27' ' ' LEU . 28.5 t -77.18 -27.67 16.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.076 0.465 . . . . 0.0 109.965 177.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.27 -54.32 3.19 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.345 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 117.888 -1.054 . . . . 0.0 110.354 -177.35 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -168.53 -54.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.467 0.175 . . . . 0.0 110.764 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.441 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 89.8 mmm -62.8 -51.34 67.44 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -175.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -64.93 -34.62 78.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 110.415 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -65.64 -35.98 82.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.287 177.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 6' ' ' LEU . 1.1 tm? -70.43 -37.5 74.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 3' ' ' MET . 14.1 mm-40 -63.09 -36.64 84.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.154 0.502 . . . . 0.0 110.428 176.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -73.28 -22.41 60.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.776 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -71.18 -34.82 71.26 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.618 HG22 HG22 ' B' ' 10' ' ' VAL . 42.5 t -64.19 -48.51 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.433 0.635 . . . . 0.0 109.977 174.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.97 -26.17 64.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.887 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -56.14 -53.31 58.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.701 175.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 5.5 mp -72.83 -21.47 60.95 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.689 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 5.9 tt -66.58 -40.36 88.9 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 172.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -64.42 -34.12 77.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.487 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 57.7 tttp -59.87 -54.47 45.84 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.719 175.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.689 ' OD1' ' HA ' ' A' ' 14' ' ' LEU . 2.5 p-10 -70.98 -34.62 71.58 Favored 'General case' 0 C--O 1.226 -0.183 0 C-N-CA 120.861 -0.336 . . . . 0.0 111.247 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -53.59 -52.05 61.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.903 0.382 . . . . 0.0 110.744 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.503 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 34.9 m170 -70.33 -35.87 73.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.157 0.503 . . . . 0.0 110.433 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.2 tp -65.47 -34.25 77.84 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.444 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -65.59 -30.82 71.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.972 0.415 . . . . 0.0 109.972 175.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 0.9 OUTLIER -64.29 -26.07 68.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.171 175.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.66 -34.83 58.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.673 178.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.6 t -70.41 -39.33 76.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.228 0.537 . . . . 0.0 109.797 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.14 93.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.06 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -66.81 -43.44 83.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.877 0.37 . . . . 0.0 111.204 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.71 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 25.7 mt -68.16 -40.92 82.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.545 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -49.75 -51.47 38.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.149 0.28 . . . . 0.0 111.074 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HA ' ' N ' ' A' ' 33' ' ' GLU . 14.6 ptmm? -73.22 -20.67 60.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.741 -0.208 . . . . 0.0 111.471 -178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.9 mt -71.09 -31.69 68.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.828 0.347 . . . . 0.0 110.448 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 27' ' ' LEU . 16.7 t -86.46 -29.01 5.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.628 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.67 -1.37 0.07 OUTLIER Glycine 0 CA--C 1.522 0.48 0 C-N-CA 119.753 -1.213 . . . . 0.0 114.475 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' N ' ' HA ' ' A' ' 29' ' ' LYS . 45.6 tt0 . . . . . 0 C--O 1.25 1.089 0 CA-C-N 117.22 0.51 . . . . 0.0 111.499 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.686 -0.565 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.1 t -168.45 -54.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.432 0.158 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.455 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 90.0 mmm -63.09 -50.91 68.7 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -175.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.46 -34.56 78.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.983 0.421 . . . . 0.0 110.348 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -65.63 -35.88 82.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.322 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' B' ' 6' ' ' LEU . 1.1 tm? -70.5 -37.6 74.21 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 3' ' ' MET . 15.1 mm-40 -63.1 -36.62 84.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.487 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -73.11 -22.9 60.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.694 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -70.72 -34.72 72.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.988 178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.618 HG22 HG22 ' A' ' 10' ' ' VAL . 42.5 t -64.4 -48.38 85.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.86 174.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.28 -26.05 64.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.909 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -56.34 -52.71 63.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 175.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' B' ' 16' ' ' LYS . 5.5 mp -73.27 -21.51 60.59 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 178.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.687 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 5.9 tt -66.6 -40.42 88.84 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.693 -0.803 . . . . 0.0 108.868 172.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -64.18 -34.13 77.36 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.452 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' B' ' 13' ' ' LEU . 58.3 tttp -59.76 -54.87 41.31 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.525 175.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.687 ' OD1' ' HA ' ' B' ' 14' ' ' LEU . 2.4 p-10 -70.84 -34.3 71.53 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.22 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -53.7 -52.05 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.757 175.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.502 ' O ' ' HB2' ' B' ' 22' ' ' ASN . 34.9 m170 -70.48 -36.28 73.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.203 0.525 . . . . 0.0 110.331 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 42.9 tp -65.06 -34.06 77.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.571 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.69 -30.67 71.39 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.0 0.429 . . . . 0.0 110.042 175.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.502 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 0.9 OUTLIER -64.62 -26.02 68.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.061 175.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.47 -34.62 58.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.613 178.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 20.0 t -70.76 -39.07 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.299 0.571 . . . . 0.0 109.845 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.98 92.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.113 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -66.96 -43.43 83.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.851 0.357 . . . . 0.0 111.206 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.71 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 24.9 mt -68.2 -40.83 82.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.533 177.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -49.71 -51.54 37.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.171 0.295 . . . . 0.0 111.069 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.433 ' HA ' ' N ' ' B' ' 33' ' ' GLU . 14.5 ptmm? -72.97 -20.73 60.98 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -178.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 28.9 mt -70.91 -31.89 68.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.431 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.564 HG23 ' O ' ' B' ' 27' ' ' LEU . 17.0 t -86.62 -28.52 5.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.82 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 161.04 -1.12 0.07 OUTLIER Glycine 0 CA--C 1.523 0.571 0 C-N-CA 119.946 -1.121 . . . . 0.0 114.436 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.433 ' N ' ' HA ' ' B' ' 29' ' ' LYS . 45.8 tt0 . . . . . 0 C--O 1.246 0.877 0 CA-C-N 117.191 0.496 . . . . 0.0 111.28 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -94.33 -6.54 44.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.669 -0.312 . . . . 0.0 111.059 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.528 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 27.0 ttt -63.35 -39.62 95.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.294 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.72 -35.25 79.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.403 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' O ' ' HD3' ' A' ' 9' ' ' LYS . 83.1 mm-40 -66.85 -43.18 84.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.712 178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.54 -25.64 68.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.459 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 3' ' ' MET . 41.3 mm-40 -61.52 -34.44 75.53 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 175.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.74 -37.41 67.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.18 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 5' ' ' GLN . 5.3 mptp? -61.61 -54.95 36.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.3 p -63.19 -37.17 78.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.35 -176.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.95 -34.55 64.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.689 0.281 . . . . 0.0 110.974 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -59.92 -56.14 25.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.756 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.62 -25.3 62.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.53 ' HA ' ' OD1' ' A' ' 17' ' ' ASN . 3.0 tm? -59.13 -41.68 88.84 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 170.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 m -69.65 -34.41 73.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.978 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.4 -53.51 53.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.123 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.53 ' OD1' ' HA ' ' A' ' 14' ' ' LEU . 2.4 p-10 -67.63 -26.01 66.02 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.45 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -63.99 -51.55 63.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.018 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -67.57 -32.96 74.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.641 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 1.4 mm? -66.88 -38.22 85.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.689 176.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.86 -43.24 99.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 13.3 m120 -62.36 -28.03 69.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.329 176.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' O ' HD13 ' A' ' 27' ' ' LEU . 12.9 tp10 -76.22 -36.79 58.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.529 -176.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.0 t -70.92 -40.29 76.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.985 0.421 . . . . 0.0 110.156 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.24 90.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.08 -175.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 13.4 ptm180 -67.72 -41.11 83.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.687 0.279 . . . . 0.0 111.334 179.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 23' ' ' GLU . 10.8 mp -64.33 -32.86 74.63 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.033 176.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -54.39 -38.27 65.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.666 0.27 . . . . 0.0 110.888 175.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 33' ' ' GLU . 82.2 tttt -72.62 -29.6 63.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.983 0.421 . . . . 0.0 111.056 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -73.44 -33.94 65.16 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.941 0.401 . . . . 0.0 110.034 175.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 27' ' ' LEU . 58.7 t -76.68 -31.86 20.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.35 31.05 0.07 OUTLIER Glycine 0 C--N 1.334 0.466 0 C-N-CA 119.629 -1.272 . . . . 0.0 114.258 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.524 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 42.1 mt-10 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.527 174.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 57.6 m -94.12 -6.69 44.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 122.648 -0.325 . . . . 0.0 111.127 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.526 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 27.3 ttt -62.97 -39.89 96.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.392 178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.29 -35.41 80.27 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.624 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -66.56 -43.35 85.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.801 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.46 -25.59 68.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.371 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' B' ' 3' ' ' MET . 42.3 mm-40 -61.51 -34.3 75.27 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.0 0.429 . . . . 0.0 109.879 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.17 -37.32 66.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.134 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -61.42 -55.17 34.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.84 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.99 -37.17 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.373 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.16 -34.66 63.89 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.585 0.231 . . . . 0.0 110.972 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -59.4 -56.8 17.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.771 176.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.2 -25.29 63.35 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.531 ' HA ' ' OD1' ' B' ' 17' ' ' ASN . 3.0 tm? -59.29 -41.54 89.18 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 170.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.3 m -69.71 -34.52 74.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.887 175.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.37 -53.23 58.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.158 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.531 ' OD1' ' HA ' ' B' ' 14' ' ' LEU . 2.4 p-10 -67.93 -25.87 65.69 Favored 'General case' 0 N--CA 1.461 0.117 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.427 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -64.19 -51.51 63.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.03 0.443 . . . . 0.0 110.003 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -67.73 -32.58 73.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.565 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 1.4 mm? -67.14 -38.11 84.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.605 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.11 -42.96 99.65 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.471 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 13.3 m120 -62.58 -27.71 69.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.236 176.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.534 ' O ' HD13 ' B' ' 27' ' ' LEU . 13.0 tp10 -76.41 -36.68 57.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.544 -176.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.7 t -71.07 -40.38 75.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.994 0.425 . . . . 0.0 110.229 176.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.38 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.057 -175.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' B' ' 22' ' ' ASN . 13.4 ptm180 -67.85 -41.12 83.4 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 120.59 0.233 . . . . 0.0 111.187 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.534 HD13 ' O ' ' B' ' 23' ' ' GLU . 10.8 mp -64.15 -33.08 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.096 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -54.1 -38.25 65.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.752 0.31 . . . . 0.0 110.938 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.515 ' HA ' ' HA ' ' B' ' 33' ' ' GLU . 82.0 tttt -72.75 -29.53 63.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.922 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.1 mt -73.84 -33.54 64.16 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.983 0.42 . . . . 0.0 110.045 175.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 27' ' ' LEU . 57.4 t -76.9 -31.71 19.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.004 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.18 30.85 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 119.462 -1.352 . . . . 0.0 114.318 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 42.3 mt-10 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.203 -0.904 . . . . 0.0 111.613 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m 73.82 28.4 1.58 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.416 0.627 . . . . 0.0 110.509 176.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 ttt -64.22 -32.3 73.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.773 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -64.38 -30.73 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.375 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 80.9 mm-40 -65.87 -39.05 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.118 178.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.76 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.576 176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.0 -41.7 92.66 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.097 0.475 . . . . 0.0 110.387 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -63.95 -41.87 97.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.692 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 97.1 mttt -63.86 -51.8 62.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.721 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.3 p -61.99 -37.32 78.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.239 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -74.37 -33.64 63.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.021 0.439 . . . . 0.0 110.541 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -59.63 -55.53 33.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.725 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' HG ' ' HE3' ' A' ' 16' ' ' LYS . 7.6 mp -66.85 -30.77 71.03 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.434 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.9 tm? -55.9 -39.81 72.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.412 0.625 . . . . 0.0 109.427 172.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -76.93 -36.36 56.63 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.615 176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HE3' ' HG ' ' A' ' 13' ' ' LEU . 25.8 ttpp -64.44 -49.76 70.22 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.65 -177.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.656 HD22 ' N ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -68.16 -19.95 64.84 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.936 0.398 . . . . 0.0 111.307 -179.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.656 ' N ' HD22 ' A' ' 17' ' ' ASN . 84.1 t80 -70.31 -40.87 73.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -70.42 -27.59 64.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.269 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 24' ' ' VAL . 7.3 mp -72.16 -35.4 69.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.51 175.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 52.0 mt-10 -61.01 -35.56 77.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.293 0.568 . . . . 0.0 109.543 174.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -66.3 -33.61 76.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.451 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.78 -41.52 64.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.451 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 20' ' ' LEU . 42.5 t -61.73 -39.41 83.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.118 0.485 . . . . 0.0 109.95 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 29' ' ' LYS . . . -70.85 -33.82 71.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.378 -178.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -64.7 -37.33 87.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.319 0.581 . . . . 0.0 109.657 -179.42 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 35.5 mt -74.77 -43.0 57.12 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.801 179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 24' ' ' VAL . 13.6 mmmm -45.51 -48.49 14.11 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.311 0.382 . . . . 0.0 110.836 174.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 25' ' ' ALA . 93.9 mttt -61.18 -40.07 92.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.277 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -65.75 -33.07 75.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.721 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 27' ' ' LEU . 17.7 t -79.91 -26.37 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.952 0.406 . . . . 0.0 110.51 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 142.01 39.1 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.608 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.247 179.3 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 m 73.14 28.59 1.85 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.493 0.663 . . . . 0.0 110.624 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 23.3 ttt -64.3 -32.33 73.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.646 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -64.27 -31.05 72.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.373 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' B' ' 9' ' ' LYS . 81.0 mm-40 -65.71 -39.01 90.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.023 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.87 -37.78 88.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.631 176.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -60.32 -41.49 93.6 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.353 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -63.95 -41.86 97.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.666 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' B' ' 5' ' ' GLN . 96.9 mttt -64.07 -51.45 64.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.757 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 10.4 p -62.21 -37.36 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 120.545 0.212 . . . . 0.0 111.223 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -74.26 -33.85 63.43 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.036 0.446 . . . . 0.0 110.473 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -59.43 -55.52 33.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.828 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.421 ' HG ' ' HE3' ' B' ' 16' ' ' LYS . 7.6 mp -67.08 -30.64 70.73 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.431 HD13 ' C ' ' B' ' 14' ' ' LEU . 2.9 tm? -56.05 -39.57 72.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.376 0.608 . . . . 0.0 109.451 172.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 24.1 m -77.27 -36.2 54.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.664 176.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.421 ' HE3' ' HG ' ' B' ' 13' ' ' LEU . 25.8 ttpp -64.36 -49.81 70.19 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.682 -177.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.649 HD22 ' N ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -68.06 -19.98 64.92 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.918 0.39 . . . . 0.0 111.353 -179.085 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.649 ' N ' HD22 ' B' ' 17' ' ' ASN . 83.4 t80 -70.3 -40.91 73.96 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -70.35 -27.29 64.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.386 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.529 ' O ' HG23 ' B' ' 24' ' ' VAL . 7.3 mp -72.46 -35.22 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.568 175.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 51.7 mt-10 -60.99 -35.89 78.03 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -65.85 -34.12 77.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.514 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.38 -41.61 66.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.48 178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.529 HG23 ' O ' ' B' ' 20' ' ' LEU . 43.0 t -61.84 -39.31 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.062 0.458 . . . . 0.0 109.956 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' B' ' 29' ' ' LYS . . . -70.93 -33.96 71.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.237 -178.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' B' ' 26' ' ' ARG . 0.0 OUTLIER -64.65 -37.16 86.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.444 0.64 . . . . 0.0 109.687 -179.348 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 35.4 mt -75.01 -42.68 56.97 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.901 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 24' ' ' VAL . 13.6 mmmm -45.8 -48.39 15.62 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.248 0.343 . . . . 0.0 110.753 174.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 25' ' ' ALA . 93.8 mttt -61.3 -40.04 92.69 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.16 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.02 -32.76 74.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.714 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 27' ' ' LEU . 18.1 t -79.93 -26.54 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.977 0.417 . . . . 0.0 110.527 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 141.94 39.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.677 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.104 178.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 p -79.45 -49.21 12.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.723 0.297 . . . . 0.0 111.121 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.12 -31.17 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.001 -177.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -65.63 -53.7 37.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.766 0.317 . . . . 0.0 110.582 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 48.6 mt-30 -66.0 -30.2 70.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.662 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.1 tp -69.48 -42.9 74.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.808 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.74 -39.19 93.21 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 120.84 0.352 . . . . 0.0 110.207 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.39 -38.38 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.204 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 62.5 mttp -60.51 -54.71 42.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.704 0.288 . . . . 0.0 111.493 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.69 -34.52 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.91 -43.44 83.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.693 0.282 . . . . 0.0 110.567 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 15' ' ' SER . 18.7 mm-40 -62.31 -34.01 75.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 175.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.13 -32.14 64.73 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.777 -0.577 . . . . 0.0 112.548 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mt -61.83 -46.38 89.72 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 167.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 50.2 m -52.79 -48.77 66.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.476 175.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -65.08 -53.51 44.5 Favored 'General case' 0 C--O 1.22 -0.463 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.692 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -54.14 -59.8 4.18 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -66.27 -40.25 89.99 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -174.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 15' ' ' SER . 26.0 m-70 -75.04 -27.43 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.231 -179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' O ' HG13 ' A' ' 24' ' ' VAL . 65.3 tp -71.21 -36.22 71.82 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 174.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.55 -31.8 73.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.225 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.402 ' OD1' ' HA ' ' A' ' 19' ' ' HIS . 15.7 m120 -61.94 -35.13 77.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.143 174.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -72.73 -38.58 67.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.798 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.82 HG12 HG12 ' B' ' 24' ' ' VAL . 0.6 OUTLIER -68.6 -31.54 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.378 0.609 . . . . 0.0 109.541 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.621 ' O ' ' HG2' ' A' ' 29' ' ' LYS . . . -63.8 -32.78 74.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.44 176.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -63.68 -52.1 62.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.703 177.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.686 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 14.4 mt -58.22 -41.17 83.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.683 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -52.63 -41.47 63.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.134 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 29.0 mmmt -72.04 -33.9 68.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.049 0.452 . . . . 0.0 110.459 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.86 -30.36 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.977 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 27' ' ' LEU . 96.3 t -68.44 -32.24 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.747 178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.82 46.3 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 119.66 -1.257 . . . . 0.0 113.344 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.963 -0.541 . . . . 0.0 111.554 176.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.081 -0.408 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -79.36 -49.19 12.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.547 0.213 . . . . 0.0 111.131 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 10.4 mmt -65.11 -31.29 72.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.001 -177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -65.67 -53.49 40.52 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.594 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -66.06 -29.98 70.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.781 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 tp -69.87 -42.68 73.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.746 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.89 -39.17 93.12 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-O 120.865 0.364 . . . . 0.0 110.283 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.38 -38.39 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.234 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -60.48 -54.8 41.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.762 0.315 . . . . 0.0 111.506 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.49 -34.57 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.988 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.87 -43.36 83.73 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 110.635 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -62.54 -33.72 75.49 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 175.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 mt -73.19 -32.12 64.62 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.88 -46.28 90.09 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 167.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.525 ' O ' ' HB2' ' B' ' 19' ' ' HIS . 49.5 m -53.13 -48.12 68.14 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.623 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -65.47 -53.9 36.09 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.631 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -53.75 -59.81 4.14 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -176.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -66.35 -39.97 89.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -174.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' B' ' 15' ' ' SER . 25.8 m-70 -75.59 -26.96 58.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.751 0.31 . . . . 0.0 111.27 -179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.422 ' O ' HG13 ' B' ' 24' ' ' VAL . 65.3 tp -71.49 -35.93 70.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.401 ' HA ' HG13 ' B' ' 24' ' ' VAL . 31.9 tt0 -63.86 -31.83 73.14 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 176.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.4 ' OD1' ' HA ' ' B' ' 19' ' ' HIS . 15.6 m120 -62.0 -34.9 77.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.219 0.533 . . . . 0.0 110.117 174.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -72.76 -38.75 67.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.763 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.82 HG12 HG12 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -68.53 -31.71 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.31 0.576 . . . . 0.0 109.554 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.626 ' O ' ' HG2' ' B' ' 29' ' ' LYS . . . -63.71 -32.75 74.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.442 176.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -63.57 -51.99 62.99 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.686 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 14.5 mt -58.45 -41.12 84.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.623 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -52.45 -41.18 63.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.303 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' B' ' 25' ' ' ALA . 28.9 mmmt -72.52 -33.85 67.18 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.13 0.491 . . . . 0.0 110.549 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.79 -30.19 61.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.126 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 27' ' ' LEU . 96.2 t -68.68 -32.25 54.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.728 178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.69 46.34 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 119.824 -1.179 . . . . 0.0 113.388 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.952 -0.547 . . . . 0.0 111.48 176.683 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.819 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -145.23 50.88 1.22 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.197 0.523 . . . . 0.0 110.298 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.446 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 27.9 ttt -62.61 -31.32 72.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.781 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -58.69 -46.64 86.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.586 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -63.93 -40.3 96.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.263 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.22 -34.88 79.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.285 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 3' ' ' MET . 31.3 mm-40 -59.7 -39.81 85.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.973 0.416 . . . . 0.0 110.807 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -74.15 -38.75 63.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.38 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -70.71 -43.48 68.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.138 -176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.15 -35.02 66.31 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.691 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -67.51 -39.04 85.12 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 9.0 tp10 -57.36 -51.5 69.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.495 176.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 6.5 mt -71.53 -31.48 67.1 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' B' ' 13' ' ' LEU . 3.0 tm? -56.8 -43.87 81.38 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 172.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.3 p -77.01 -33.34 57.52 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.389 177.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 28.6 mtpp -59.1 -45.65 90.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.279 0.491 . . . . 0.0 110.585 173.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -52.14 -49.38 63.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.826 175.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -67.32 -39.63 85.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.759 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -57.47 -42.51 82.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.084 0.469 . . . . 0.0 110.548 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.571 ' O ' HG23 ' A' ' 24' ' ' VAL . 7.3 mp -78.28 -34.29 49.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.114 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -59.77 -39.6 85.4 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -63.06 -33.46 75.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.858 175.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -75.01 -33.61 61.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.069 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 20' ' ' LEU . 21.2 t -69.46 -38.19 76.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.031 0.443 . . . . 0.0 109.859 177.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.4 -41.92 96.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.799 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.519 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 11.1 ptm180 -66.33 -46.68 76.01 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -178.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.712 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 16.0 mt -68.84 -37.54 79.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.758 -0.201 . . . . 0.0 111.335 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -52.64 -37.42 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.912 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -90.8 -9.24 47.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.19 -179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.4 mt -82.37 -31.52 29.7 Favored 'General case' 0 C--N 1.317 -0.842 0 O-C-N 121.907 -0.495 . . . . 0.0 109.665 173.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 27' ' ' LEU . 10.1 t -89.2 -26.44 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.068 175.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -99.55 -45.53 2.12 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.907 -0.663 . . . . 0.0 113.037 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.129 -0.939 . . . . 0.0 110.308 -178.428 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m -145.84 51.08 1.17 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.263 0.554 . . . . 0.0 110.398 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.439 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 28.0 ttt -62.94 -31.34 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.697 -178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -58.6 -46.84 86.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.668 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.69 -40.44 96.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.243 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.98 -35.17 79.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.295 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 3' ' ' MET . 31.1 mm-40 -59.33 -39.87 84.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 0.0 110.799 177.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.42 -38.12 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.416 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -71.03 -43.69 67.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.143 -176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.12 -35.1 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.619 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -67.34 -39.26 85.78 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.067 0.46 . . . . 0.0 109.785 175.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' B' ' 16' ' ' LYS . 9.0 tp10 -57.2 -51.21 70.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.585 176.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 14' ' ' LEU . 6.5 mt -71.8 -31.63 66.76 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' A' ' 13' ' ' LEU . 3.0 tm? -56.62 -43.99 80.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 172.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 7.4 p -77.03 -33.38 57.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.32 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' B' ' 12' ' ' GLU . 28.6 mtpp -58.98 -45.87 89.51 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.321 0.51 . . . . 0.0 110.444 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -52.01 -49.25 63.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.804 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -67.65 -39.41 84.59 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -57.67 -41.89 82.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.01 0.433 . . . . 0.0 110.733 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 24' ' ' VAL . 7.3 mp -78.88 -34.04 45.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.985 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.95 -39.55 85.95 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -63.03 -33.7 75.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.898 175.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.74 -33.68 62.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.122 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 20' ' ' LEU . 20.8 t -69.61 -37.56 74.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.051 0.453 . . . . 0.0 109.832 177.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.84 95.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.861 -176.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 11.0 ptm180 -66.23 -47.07 75.01 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.525 -178.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.712 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 16.3 mt -68.49 -37.82 80.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.38 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -52.45 -37.29 56.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.083 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -91.03 -9.41 45.97 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.181 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 90.9 mt -82.08 -31.73 30.62 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.651 173.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 27' ' ' LEU . 10.1 t -88.94 -26.36 5.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.98 175.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.05 -44.73 2.17 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.133 -176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.339 -178.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.438 ' HB2' ' SD ' ' B' ' 3' ' ' MET . 18.1 p -84.68 -52.91 5.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.202 0.525 . . . . 0.0 110.236 -178.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.419 ' SD ' ' HB2' ' B' ' 2' ' ' SER . 93.6 mtp -69.09 -27.62 65.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.018 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -58.77 -41.89 87.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -70.16 -45.24 67.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.741 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 4.5 mm? -69.79 -36.15 75.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.874 -176.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.66 -23.23 65.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 110.663 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.46 -34.73 47.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.227 176.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HB3' HG21 ' B' ' 10' ' ' VAL . 74.0 mmtt -67.7 -53.25 29.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.968 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.57 -40.87 89.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.268 -177.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.31 -37.54 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.649 0.261 . . . . 0.0 110.332 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.41 -57.02 14.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -73.42 -21.04 60.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.415 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.9 tm? -60.38 -44.7 95.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 170.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.1 t -73.24 -43.56 60.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.116 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -58.83 -36.27 74.27 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.25 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -64.04 -47.81 78.73 Favored 'General case' 0 C--O 1.226 -0.15 0 CA-C-O 120.57 0.224 . . . . 0.0 111.034 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -67.66 -33.63 75.32 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.092 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -66.3 -36.16 82.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.357 0.598 . . . . 0.0 109.902 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.0 tp -72.75 -30.56 64.25 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.226 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -66.68 -35.81 81.02 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -60.92 -31.48 71.0 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.984 174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.567 ' HA ' ' HG3' ' A' ' 26' ' ' ARG . 42.8 tt0 -69.83 -39.09 76.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.741 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.806 HG22 HG22 ' B' ' 24' ' ' VAL . 1.9 t -65.64 -33.19 61.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . . . -66.43 -28.74 68.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.331 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.567 ' HG3' ' HA ' ' A' ' 23' ' ' GLU . 13.2 mtp180 -64.39 -52.52 57.81 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.53 HD23 ' N ' ' B' ' 28' ' ' LYS . 10.3 mp -62.63 -45.74 91.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.567 -172.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' N ' HD23 ' B' ' 27' ' ' LEU . 46.4 pttt -63.83 -25.4 68.15 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 119.987 -0.685 . . . . 0.0 112.121 -177.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 25' ' ' ALA . 10.6 mtmp? -66.38 -36.51 83.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 173.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.31 -33.97 67.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.58 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 27' ' ' LEU . 53.8 t -67.28 -27.38 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 121.081 0.467 . . . . 0.0 109.993 177.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.55 44.06 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.483 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.98 -0.533 . . . . 0.0 111.398 -179.55 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.419 ' HB2' ' SD ' ' A' ' 3' ' ' MET . 17.0 p -84.68 -52.87 5.76 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.177 0.513 . . . . 0.0 110.227 -178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' A' ' 2' ' ' SER . 94.1 mtp -69.27 -27.68 65.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.992 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.68 -41.84 87.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.042 178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -70.14 -45.43 66.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.737 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 4.5 mm? -69.47 -36.44 76.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.94 -176.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -67.4 -23.33 65.55 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.826 0.346 . . . . 0.0 110.702 -178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.38 -34.59 48.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.247 176.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -67.95 -53.17 28.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.802 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 9' ' ' LYS . 7.1 p -62.66 -40.61 89.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.351 -177.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -68.45 -37.62 80.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 0.0 110.461 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -58.07 -57.59 12.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.921 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -73.12 -20.93 60.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.414 HD13 ' C ' ' B' ' 14' ' ' LEU . 2.9 tm? -60.48 -44.67 95.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 170.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -73.14 -43.64 61.29 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.081 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -58.8 -36.23 74.13 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.246 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -64.11 -47.85 78.38 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.605 0.24 . . . . 0.0 110.993 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -67.49 -33.82 75.88 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.188 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -66.07 -36.29 82.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.272 0.558 . . . . 0.0 109.901 175.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 66.4 tp -72.72 -30.59 64.31 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.133 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -66.59 -35.78 81.04 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -60.78 -31.91 71.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.942 174.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.566 ' HA ' ' HG3' ' B' ' 26' ' ' ARG . 42.9 tt0 -69.66 -39.25 77.14 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.696 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.806 HG22 HG22 ' A' ' 24' ' ' VAL . 1.9 t -65.31 -33.34 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.491 ' HA ' ' HE2' ' B' ' 28' ' ' LYS . . . -66.33 -28.58 68.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.451 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.566 ' HG3' ' HA ' ' B' ' 23' ' ' GLU . 12.9 mtp180 -64.46 -52.4 58.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 28' ' ' LYS . 10.3 mp -62.66 -45.69 91.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.587 -172.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.53 ' N ' HD23 ' A' ' 27' ' ' LEU . 46.0 pttt -63.98 -25.12 67.99 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 119.975 -0.69 . . . . 0.0 112.167 -177.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 25' ' ' ALA . 10.6 mtmp? -66.99 -36.03 81.25 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.37 -33.81 67.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.586 175.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 27' ' ' LEU . 52.1 t -67.42 -27.47 38.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-O 120.958 0.409 . . . . 0.0 110.144 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 137.01 43.47 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.528 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 45.4 mt-10 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 123.014 0.525 . . . . 0.0 111.429 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 m -116.53 12.41 15.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.88 0.371 . . . . 0.0 110.675 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -70.13 -43.93 69.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.23 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -69.9 -32.64 71.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.641 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -62.37 -42.24 99.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.68 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.37 -35.23 65.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.596 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.93 -42.85 97.24 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.459 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.33 -26.52 64.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.028 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -79.96 -43.4 22.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.62 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.61 -34.8 63.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 110.376 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.02 -35.15 76.32 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.67 -48.63 78.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.852 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.65 -33.57 72.78 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 175.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.4 tm? -56.03 -42.16 76.08 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 170.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -63.74 -46.16 86.6 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.832 175.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -61.21 -45.34 94.96 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 120.489 -0.484 . . . . 0.0 111.397 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 36.1 t30 -54.49 -46.8 73.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.12 0.486 . . . . 0.0 110.309 174.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -60.45 -40.95 92.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.855 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 53.9 m170 -60.51 -49.19 78.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.328 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 4.5 mm? -66.57 -33.88 76.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.761 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 17' ' ' ASN . 42.0 mt-10 -59.96 -39.82 86.91 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.762 0.315 . . . . 0.0 110.489 175.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -65.24 -30.47 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.495 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.668 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 10.4 mm-40 -78.03 -41.03 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.167 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 20' ' ' LEU . 73.8 t -62.59 -40.15 87.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.065 0.46 . . . . 0.0 110.029 177.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.06 69.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.399 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.668 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 4.1 ptm180 -73.07 -43.44 61.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.265 0.555 . . . . 0.0 110.317 -178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.665 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 17.5 mt -74.31 -39.7 62.72 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.113 -178.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -49.93 -43.33 49.76 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.116 0.26 . . . . 0.0 111.68 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 26' ' ' ARG . 58.9 pttt -78.47 -28.64 46.52 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.336 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 85.5 mt -67.11 -32.12 73.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.821 0.343 . . . . 0.0 110.595 177.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 27' ' ' LEU . 36.3 t -78.36 -23.5 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.453 0.644 . . . . 0.0 109.442 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.8 -54.38 4.94 Favored Glycine 0 N--CA 1.447 -0.604 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.847 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' OXT' ' HG2' ' A' ' 33' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.253 1.241 0 CA-C-O 118.419 -0.801 . . . . 0.0 110.405 177.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -116.41 12.39 15.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.011 0.434 . . . . 0.0 110.846 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -70.0 -43.84 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.395 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -70.04 -32.3 70.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.78 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -62.73 -42.09 99.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.733 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.41 -35.37 65.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.612 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.9 -42.49 97.43 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -69.7 -26.14 64.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -80.23 -43.37 21.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.742 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.64 -34.69 62.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.331 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.13 -35.24 76.17 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.47 -48.62 78.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.992 174.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.75 -33.33 72.29 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 175.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.422 HD13 ' C ' ' B' ' 14' ' ' LEU . 2.5 tm? -56.23 -42.0 76.58 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.6 t -63.86 -45.98 87.02 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.725 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -61.32 -45.35 94.8 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.411 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.429 ' O ' ' HG3' ' B' ' 21' ' ' GLU . 35.8 t30 -54.61 -46.74 73.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.03 0.443 . . . . 0.0 110.22 174.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -60.43 -41.09 93.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.843 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.553 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 53.4 m170 -60.46 -48.92 79.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.452 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 4.5 mm? -66.72 -34.0 76.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' B' ' 17' ' ' ASN . 41.9 mt-10 -59.75 -40.33 87.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.924 0.393 . . . . 0.0 110.344 175.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -64.69 -30.42 71.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.572 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.662 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 10.4 mm-40 -78.33 -40.91 35.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.247 -178.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 20' ' ' LEU . 75.9 t -62.61 -40.15 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.121 0.486 . . . . 0.0 110.107 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.74 -30.12 69.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.437 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.662 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 4.2 ptm180 -73.1 -43.25 62.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.156 0.503 . . . . 0.0 110.239 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.665 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 17.2 mt -74.42 -39.5 62.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.163 -178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -50.25 -42.86 52.69 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.168 0.292 . . . . 0.0 111.687 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' B' ' 26' ' ' ARG . 58.9 pttt -78.67 -29.07 45.46 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.26 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 85.3 mt -66.77 -32.14 73.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.352 . . . . 0.0 110.656 177.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' B' ' 27' ' ' LEU . 35.4 t -78.26 -23.68 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.03 -54.17 4.94 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.996 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.417 ' OXT' ' HG2' ' B' ' 33' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.262 177.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.746 ' O ' ' HB3' ' A' ' 6' ' ' LEU . 9.4 t -154.73 -63.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 mpp? 54.75 -170.75 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.475 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -80.01 -52.85 7.32 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 121.822 -0.549 . . . . 0.0 110.493 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -65.57 -34.61 78.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.746 ' HB3' ' O ' ' A' ' 2' ' ' SER . 3.1 tm? -85.94 -34.31 20.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.927 -175.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.54 -40.86 98.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 174.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.73 -29.0 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.735 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -70.12 -52.33 24.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.937 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.4 p -65.46 -35.63 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.946 0.403 . . . . 0.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -63.33 -43.42 97.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.825 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -57.13 -53.82 53.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.055 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' B' ' 14' ' ' LEU . 1.2 mt -72.13 -22.9 61.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -174.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.519 ' HB3' HD22 ' B' ' 13' ' ' LEU . 4.2 pp -86.82 -16.75 35.22 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 118.744 -1.182 . . . . 0.0 109.977 172.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -72.85 -38.38 67.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 167.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 24.9 mtpp -53.13 -54.16 39.79 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 169.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -56.98 -41.92 79.26 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.631 176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -62.21 -52.85 62.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.056 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 59.4 m-70 -70.86 -32.59 69.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp -65.27 -36.29 83.66 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.985 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.73 -30.37 71.48 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.305 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 19' ' ' HIS . 15.7 m120 -64.76 -30.25 71.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.247 0.546 . . . . 0.0 109.98 176.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -78.03 -34.47 50.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.285 177.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.495 HG22 HG22 ' B' ' 24' ' ' VAL . 38.2 t -62.81 -41.77 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.18 87.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.445 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.609 ' O ' HD23 ' A' ' 30' ' ' LEU . 5.2 ptp180 -65.0 -40.67 95.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.138 0.494 . . . . 0.0 110.177 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.718 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 22.8 mt -73.26 -41.61 63.46 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.35 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -51.51 -42.37 61.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.61 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 26' ' ' ARG . 19.9 pttp -77.82 -23.28 49.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.567 0.222 . . . . 0.0 111.154 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 26' ' ' ARG . 3.1 mm? -73.94 -37.62 64.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.625 0.25 . . . . 0.0 110.996 176.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 27' ' ' LEU . 17.9 t -78.54 -25.63 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.208 0.528 . . . . 0.0 110.037 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.66 -52.06 3.45 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.565 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.165 -0.922 . . . . 0.0 110.793 -178.256 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.741 ' O ' ' HB3' ' B' ' 6' ' ' LEU . 10.7 t -154.57 -63.81 0.13 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 4.1 mpp? 54.86 -170.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.608 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -80.36 -52.93 7.11 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.62 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -65.51 -34.52 78.46 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -173.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.741 ' HB3' ' O ' ' B' ' 2' ' ' SER . 3.1 tm? -85.97 -34.37 20.86 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.97 -175.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.44 -40.71 97.47 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 174.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.14 -28.24 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.864 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -71.11 -52.0 21.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.768 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 p -65.57 -35.59 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.051 0.453 . . . . 0.0 110.471 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.46 -43.34 97.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.901 175.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.14 -53.81 53.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.993 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mt -72.21 -22.73 61.22 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -174.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.547 ' HB3' HD22 ' A' ' 13' ' ' LEU . 4.2 pp -86.82 -16.86 34.92 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 118.749 -1.18 . . . . 0.0 109.852 171.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 34.3 t -72.68 -38.58 67.55 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 167.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' B' ' 13' ' ' LEU . 24.9 mtpp -53.07 -54.02 41.71 Favored 'General case' 0 C--N 1.343 0.294 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -57.1 -41.77 79.53 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.764 176.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -62.3 -52.88 61.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.914 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' B' ' 22' ' ' ASN . 59.0 m-70 -70.92 -32.06 68.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.0 0.429 . . . . 0.0 110.765 -178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.68 -36.16 82.85 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.04 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.74 -30.41 71.51 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.291 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' B' ' 19' ' ' HIS . 15.8 m120 -65.06 -29.83 70.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.302 0.572 . . . . 0.0 109.994 176.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 0.9 OUTLIER -78.21 -34.42 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.238 177.659 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.495 HG22 HG22 ' A' ' 24' ' ' VAL . 38.4 t -62.91 -41.94 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.263 0.554 . . . . 0.0 109.529 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.12 87.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.394 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.61 ' O ' HD23 ' B' ' 30' ' ' LEU . 5.2 ptp180 -65.17 -40.55 94.44 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 121.23 0.538 . . . . 0.0 110.238 -177.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.718 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 22.3 mt -73.45 -41.65 62.94 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.303 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -51.4 -42.48 61.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.641 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' B' ' 26' ' ' ARG . 19.8 pttp -77.72 -23.26 49.45 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.61 HD23 ' O ' ' B' ' 26' ' ' ARG . 3.1 mm? -73.82 -37.86 64.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.709 0.29 . . . . 0.0 110.991 176.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 27' ' ' LEU . 17.7 t -78.28 -25.65 14.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.285 0.565 . . . . 0.0 110.11 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -85.64 -51.89 3.51 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.748 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.814 -178.152 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m 73.19 12.54 4.89 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.156 0.503 . . . . 0.0 110.816 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.3 mmt -66.72 -30.8 71.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.224 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.05 -51.47 67.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.885 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.502 ' NE2' ' H ' ' A' ' 5' ' ' GLN . 2.2 mp0 -66.87 -34.29 77.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.206 -176.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.75 -43.54 72.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.683 0.277 . . . . 0.0 110.836 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 44.4 mt-10 -67.19 -39.34 86.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.712 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.7 -26.23 66.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -70.4 -37.78 74.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.15 -44.42 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.033 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 7' ' ' GLU . 6.8 mm-40 -64.61 -34.28 77.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.9 -54.42 47.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.524 173.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -68.85 -17.48 64.0 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.719 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 4.8 tt -72.28 -40.16 67.8 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 172.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.3 t -64.89 -36.2 83.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -56.94 -48.19 78.89 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.912 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.719 ' ND2' ' HA ' ' A' ' 14' ' ' LEU . 8.9 p30 -81.57 -33.21 31.77 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.289 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -55.5 -51.59 66.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.749 0.309 . . . . 0.0 111.068 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -69.59 -29.53 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.183 0.516 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.0 tp -71.53 -29.89 65.29 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.855 178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.99 -35.89 81.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.022 174.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -61.72 -29.66 70.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.305 0.574 . . . . 0.0 110.106 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -71.47 -39.37 70.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.511 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.413 HG22 HG22 ' B' ' 24' ' ' VAL . 16.5 t -69.66 -40.46 79.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.018 0.437 . . . . 0.0 109.989 179.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.91 97.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.004 -175.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' O ' HD13 ' A' ' 30' ' ' LEU . 1.5 ptm180 -65.65 -43.51 89.19 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 111.253 -178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.699 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 22.9 mt -70.35 -39.9 74.38 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.602 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -49.79 -47.19 51.31 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 123.281 0.363 . . . . 0.0 111.705 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 26' ' ' ARG . 62.0 pttt -77.03 -24.8 52.04 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 26' ' ' ARG . 7.5 mp -75.24 -31.94 60.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.813 0.339 . . . . 0.0 110.815 178.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 27' ' ' LEU . 45.4 t -78.45 -24.53 13.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.293 0.568 . . . . 0.0 109.55 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.91 -54.58 3.84 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.027 178.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.553 -0.737 . . . . 0.0 110.23 179.397 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.2 m 72.8 12.86 5.2 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.942 0.497 . . . . 0.0 110.764 178.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 21.3 mmt -66.73 -30.6 70.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.331 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -56.72 -51.04 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.761 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.494 ' NE2' ' H ' ' B' ' 5' ' ' GLN . 2.2 mp0 -66.61 -34.85 78.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.15 -176.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.69 -43.42 72.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 44.0 mt-10 -67.15 -39.58 86.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.659 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.45 -26.66 67.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.857 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -70.08 -37.78 75.55 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.26 -44.32 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.981 175.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' B' ' 7' ' ' GLU . 6.7 mm-40 -64.49 -34.73 78.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.493 178.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -57.48 -54.67 44.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.407 173.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -68.7 -17.5 64.08 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.718 ' HA ' ' ND2' ' B' ' 17' ' ' ASN . 4.8 tt -72.29 -39.86 67.98 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 172.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 28.6 t -65.28 -36.1 83.04 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -56.82 -48.63 77.55 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.814 175.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.718 ' ND2' ' HA ' ' B' ' 14' ' ' LEU . 8.8 p30 -81.37 -33.07 32.59 Favored 'General case' 0 C--O 1.224 -0.278 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.23 -178.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -55.7 -51.49 67.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.613 0.244 . . . . 0.0 111.071 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -69.16 -30.68 68.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.244 0.545 . . . . 0.0 110.567 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 37.6 tp -70.62 -30.05 66.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.859 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.95 -35.58 81.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.181 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -61.78 -29.76 70.36 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.202 0.525 . . . . 0.0 110.128 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -71.51 -39.55 70.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.372 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.413 HG22 HG22 ' A' ' 24' ' ' VAL . 16.9 t -69.58 -40.05 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.116 0.484 . . . . 0.0 109.989 179.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.93 97.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.027 -175.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.52 ' O ' HD13 ' B' ' 30' ' ' LEU . 1.5 ptm180 -65.73 -43.58 88.58 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.912 0.387 . . . . 0.0 111.187 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.699 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 22.8 mt -70.27 -40.1 74.56 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.535 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -49.37 -47.73 47.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.535 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' B' ' 26' ' ' ARG . 62.0 pttt -76.95 -24.38 52.37 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -178.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.52 HD13 ' O ' ' B' ' 26' ' ' ARG . 7.4 mp -75.6 -31.95 60.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 0.0 110.845 178.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 27' ' ' LEU . 44.2 t -78.58 -24.54 13.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.427 0.632 . . . . 0.0 109.496 174.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.57 -54.87 3.82 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.985 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.51 -0.757 . . . . 0.0 109.95 179.34 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.759 0 N-CA-C 112.236 -0.346 . . . . 0.0 112.236 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -77.15 -38.54 51.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.979 0.419 . . . . 0.0 110.008 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 44.2 tpp -62.77 -36.73 84.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.48 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -63.66 -41.85 98.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.326 176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -64.85 -36.4 84.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.191 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.74 -42.2 77.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.644 0.259 . . . . 0.0 110.7 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -62.12 -35.39 78.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.048 0.451 . . . . 0.0 110.528 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.79 -30.8 51.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.771 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -70.73 -44.62 66.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.587 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 p -65.44 -31.79 55.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.014 0.435 . . . . 0.0 110.557 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -74.74 -37.02 62.61 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 176.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -56.14 -43.95 78.76 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.517 174.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 7.5 mp -73.1 -12.47 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 174.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.88 -36.31 49.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 p -74.12 -28.32 61.29 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.843 172.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 63.4 tttp -55.94 -46.26 78.57 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 168.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -61.82 -45.7 92.71 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.928 174.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -55.89 -42.34 75.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.462 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -65.62 -42.75 91.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.39 0.614 . . . . 0.0 110.101 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.3 tp -68.86 -32.87 72.85 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.243 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.61 -36.29 83.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.23 176.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.84 -31.12 70.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.401 0.62 . . . . 0.0 110.181 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -74.29 -34.39 63.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.601 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.501 HG22 HG22 ' B' ' 24' ' ' VAL . 20.8 t -68.79 -38.93 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.252 0.548 . . . . 0.0 109.731 176.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.66 -40.71 88.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.998 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.576 ' O ' HD13 ' A' ' 30' ' ' LEU . 10.8 ptp180 -63.59 -41.95 98.3 Favored 'General case' 0 C--O 1.226 -0.157 0 CA-C-O 120.83 0.348 . . . . 0.0 110.819 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.722 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 23.4 mt -71.82 -41.44 68.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.681 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -49.68 -46.99 50.51 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.257 0.348 . . . . 0.0 111.395 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -76.69 -23.76 53.16 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.576 HD13 ' O ' ' A' ' 26' ' ' ARG . 6.8 mp -75.85 -33.96 60.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.703 0.287 . . . . 0.0 110.749 177.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 27' ' ' LEU . 43.2 t -75.73 -29.52 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.03 -50.03 5.34 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.051 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 123.006 0.522 . . . . 0.0 110.576 178.379 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 111.972 -0.451 . . . . 0.0 111.972 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -77.5 -38.56 48.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.085 0.469 . . . . 0.0 110.099 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 43.0 tpp -62.7 -36.65 83.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.479 179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -63.78 -41.52 97.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.307 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -65.09 -36.49 84.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.068 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.66 -42.26 78.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.593 0.235 . . . . 0.0 110.763 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -62.13 -35.36 78.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.003 0.43 . . . . 0.0 110.6 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.86 -30.58 51.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 177.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -70.8 -44.77 65.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.526 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.25 -32.16 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.021 0.439 . . . . 0.0 110.584 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -74.59 -36.85 63.02 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 175.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -56.25 -44.12 79.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.462 174.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.43 ' O ' ' HB3' ' B' ' 16' ' ' LYS . 7.5 mp -72.94 -12.42 60.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 174.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.92 -36.18 49.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 2.7 p -74.3 -28.2 61.07 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.818 172.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' B' ' 13' ' ' LEU . 63.4 tttp -55.99 -46.65 78.62 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 168.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.421 ' OD1' ' HG2' ' A' ' 16' ' ' LYS . 30.2 m-80 -61.4 -45.77 92.95 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.879 174.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -55.73 -42.18 74.99 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.523 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -66.03 -42.41 89.63 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.366 0.603 . . . . 0.0 110.09 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 50.3 tp -68.92 -33.07 73.14 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.135 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.68 -36.24 83.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.23 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.86 -31.01 70.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.152 0.501 . . . . 0.0 110.169 175.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -74.3 -34.59 63.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.602 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.501 HG22 HG22 ' A' ' 24' ' ' VAL . 21.2 t -68.61 -39.22 80.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.252 0.548 . . . . 0.0 109.673 176.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.5 89.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.018 -176.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.584 ' O ' HD13 ' B' ' 30' ' ' LEU . 10.7 ptp180 -63.82 -41.92 97.77 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 120.883 0.373 . . . . 0.0 110.794 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.722 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 23.7 mt -71.61 -41.65 68.63 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.64 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -49.59 -46.89 49.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.681 0.277 . . . . 0.0 111.48 179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -76.81 -23.73 52.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.584 HD13 ' O ' ' B' ' 26' ' ' ARG . 6.8 mp -75.84 -34.21 60.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.75 0.31 . . . . 0.0 110.734 177.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.439 HG11 HD23 ' A' ' 30' ' ' LEU . 44.9 t -75.72 -29.29 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 110.026 175.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.92 -50.25 5.28 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.85 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 C--O 1.251 1.136 0 C-N-CA 122.983 0.513 . . . . 0.0 110.698 178.568 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.682 -0.567 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t 66.78 30.98 7.71 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 109.591 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.518 ' O ' ' HG2' ' A' ' 7' ' ' GLU . 14.2 tpt -63.95 -44.76 91.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.926 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 ttmt -63.52 -37.14 86.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.364 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -60.11 -45.11 94.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.733 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.47 -34.67 74.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.856 179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 3' ' ' MET . 20.1 mm-40 -66.47 -39.14 88.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.711 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -73.66 -32.01 63.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.803 0.335 . . . . 0.0 110.544 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -61.94 -52.02 65.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.86 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.11 -35.41 75.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.054 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.88 -35.13 76.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.879 0.371 . . . . 0.0 110.382 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.83 -52.06 66.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.048 176.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.473 ' HG ' ' HD3' ' A' ' 16' ' ' LYS . 7.0 mp -66.72 -32.14 73.25 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.636 175.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.1 tm? -56.87 -40.0 75.35 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.4 m -68.57 -40.07 80.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.448 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HD3' ' HG ' ' A' ' 13' ' ' LEU . 29.0 mtpp -60.69 -54.2 48.21 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.562 HD22 ' N ' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -70.52 -17.98 62.95 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.106 -178.403 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.562 ' N ' HD22 ' A' ' 17' ' ' ASN . 68.8 t80 -76.16 -48.41 20.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.202 175.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.602 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 15.6 m-70 -64.36 -42.76 96.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.679 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.9 mm? -66.32 -33.4 75.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.823 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' B' ' 20' ' ' LEU . 38.6 tt0 -62.24 -40.61 96.76 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -65.3 -29.04 69.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.57 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 50.6 mm-40 -72.59 -37.74 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -178.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 20' ' ' LEU . 15.5 t -70.93 -23.53 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.114 0.483 . . . . 0.0 109.983 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.01 -31.12 39.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 109.862 172.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.508 ' HG3' HD12 ' A' ' 27' ' ' LEU . 17.0 tpt180 -63.34 -56.16 18.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.955 177.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 31' ' ' VAL . 10.3 mp -65.19 -27.74 68.9 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.407 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -56.94 -38.47 72.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.897 0.38 . . . . 0.0 110.579 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -71.91 -33.42 68.28 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.623 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.7 -28.57 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.734 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 27' ' ' LEU . 55.0 t -77.95 -25.94 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.2 0.524 . . . . 0.0 109.993 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -89.96 -55.73 1.95 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.577 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.827 -0.606 . . . . 0.0 110.249 -177.341 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t 66.92 31.3 7.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.54 0.686 . . . . 0.0 109.608 178.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . 0.522 ' O ' ' HG2' ' B' ' 7' ' ' GLU . 14.1 tpt -63.96 -44.96 91.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.944 -175.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -63.23 -37.15 86.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -60.35 -44.87 95.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.639 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.61 -34.91 74.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.8 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' B' ' 3' ' ' MET . 19.2 mm-40 -66.29 -38.95 88.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.719 177.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.09 -31.39 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.583 176.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.45 -52.04 65.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.803 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.81 -35.86 76.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.07 -178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -68.52 -35.13 77.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.79 0.328 . . . . 0.0 110.422 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -60.97 -52.22 65.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.048 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.474 ' HG ' ' HD3' ' B' ' 16' ' ' LYS . 7.0 mp -66.42 -32.04 73.17 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.714 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.424 HD13 ' C ' ' B' ' 14' ' ' LEU . 3.1 tm? -57.03 -39.9 75.68 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 171.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 19.4 m -68.73 -39.96 80.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.431 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.474 ' HD3' ' HG ' ' B' ' 13' ' ' LEU . 29.0 mtpp -60.67 -54.3 47.03 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.564 HD22 ' N ' ' B' ' 18' ' ' TYR . 0.3 OUTLIER -70.59 -17.98 62.9 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.087 -178.322 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.564 ' N ' HD22 ' B' ' 17' ' ' ASN . 69.7 t80 -76.1 -48.31 21.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.182 175.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.606 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 15.4 m-70 -64.59 -42.64 95.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.687 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.9 mm? -66.28 -33.21 75.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.82 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 20' ' ' LEU . 39.3 tt0 -62.6 -40.35 96.63 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.183 0.516 . . . . 0.0 109.686 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -65.64 -28.65 69.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.602 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 48.0 mm-40 -72.78 -37.64 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.012 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 20' ' ' LEU . 15.5 t -71.12 -23.32 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.207 0.527 . . . . 0.0 109.962 179.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.29 -30.68 38.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.458 0.647 . . . . 0.0 109.862 172.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.509 ' HG3' HD12 ' B' ' 27' ' ' LEU . 16.7 tpt180 -63.67 -56.51 15.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.801 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 31' ' ' VAL . 10.3 mp -64.98 -27.92 69.16 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.351 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -56.84 -38.47 72.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.579 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -72.06 -33.04 67.65 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.697 177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.84 -28.34 66.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.009 0.433 . . . . 0.0 110.751 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 27' ' ' LEU . 55.3 t -78.27 -25.8 14.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.168 0.508 . . . . 0.0 109.979 177.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -90.03 -55.82 1.93 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.596 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.677 -0.678 . . . . 0.0 110.251 -177.424 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -147.43 -60.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.641 0.221 . . . . 0.0 110.549 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 34.3 tpp -57.24 -52.84 63.7 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.582 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -62.98 -37.99 89.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.047 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.604 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 28.0 mt-30 -70.44 -43.39 70.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.965 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 6' ' ' LEU . 2.1 tm? -64.91 -37.07 86.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.122 -178.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.18 -27.91 67.67 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 110.931 176.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -77.02 -29.34 55.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.535 175.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 34.1 mmtp -66.31 -44.06 84.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.708 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.81 -33.39 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.931 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -74.42 -38.34 63.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.857 0.36 . . . . 0.0 110.164 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.39 -51.06 71.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 16' ' ' LYS . 4.1 mt -67.98 -29.04 67.97 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.7 tm? -61.91 -43.92 97.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 172.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.1 p -72.72 -33.03 66.15 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.226 176.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 53.1 mtpt -59.33 -52.27 66.37 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.347 174.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -58.5 -42.1 86.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.832 177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -63.41 -47.27 82.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.997 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -69.93 -32.1 70.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.177 0.513 . . . . 0.0 110.526 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.2 tp -72.77 -32.56 65.71 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.493 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.6 -32.91 74.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.218 0.532 . . . . 0.0 109.813 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -66.98 -27.37 67.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.286 174.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' HD13 ' A' ' 27' ' ' LEU . 38.8 tt0 -76.25 -32.26 58.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.418 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG22 HG22 ' B' ' 24' ' ' VAL . 21.4 t -69.63 -37.34 74.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.24 -44.17 92.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.634 -176.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -61.66 -41.79 98.03 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.395 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 23' ' ' GLU . 10.9 mp -62.01 -36.54 81.86 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.861 175.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -61.15 -27.84 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -74.05 -26.8 60.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.092 0.472 . . . . 0.0 110.409 175.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.46 -31.48 37.37 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.731 176.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 27' ' ' LEU . 27.9 t -86.44 -31.75 6.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.14 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.15 -41.17 0.2 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.487 -0.863 . . . . 0.0 113.388 -174.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 119.24 -0.41 . . . . 0.0 110.801 -178.2 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t -147.47 -60.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.707 0.253 . . . . 0.0 110.626 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 34.9 tpp -57.38 -52.77 64.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.599 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -63.24 -37.63 87.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.872 0.368 . . . . 0.0 111.018 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' B' ' 9' ' ' LYS . 28.0 mt-30 -70.63 -43.37 69.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.879 -179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' B' ' 6' ' ' LEU . 2.1 tm? -65.0 -37.18 86.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.064 -178.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -67.06 -28.26 68.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.011 0.434 . . . . 0.0 110.837 176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.81 -29.06 55.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.557 175.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' B' ' 5' ' ' GLN . 34.1 mmtp -66.58 -43.94 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.823 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.93 -33.5 61.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.876 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -74.48 -37.94 63.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.694 0.283 . . . . 0.0 110.308 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.61 -51.22 70.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 176.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.445 ' HA ' ' HB2' ' B' ' 16' ' ' LYS . 4.1 mt -67.77 -29.32 68.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 177.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.72 -43.97 97.82 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 172.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.1 p -72.76 -33.07 66.08 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.321 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.445 ' HB2' ' HA ' ' B' ' 13' ' ' LEU . 53.1 mtpt -59.07 -52.41 65.88 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.243 174.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -58.47 -42.19 86.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.824 177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.29 -47.37 82.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.968 0.413 . . . . 0.0 111.062 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -69.79 -32.38 70.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.129 0.49 . . . . 0.0 110.419 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.7 tp -72.68 -32.35 65.75 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.427 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -65.78 -32.95 74.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.172 0.511 . . . . 0.0 109.733 174.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -66.85 -27.41 67.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.283 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.497 ' O ' HD13 ' B' ' 27' ' ' LEU . 39.3 tt0 -76.22 -32.27 58.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.465 -178.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.507 HG22 HG22 ' A' ' 24' ' ' VAL . 21.5 t -69.31 -37.71 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.48 93.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.655 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -61.43 -42.02 98.09 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.598 0.237 . . . . 0.0 111.291 -179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.499 ' O ' HG23 ' B' ' 31' ' ' VAL . 10.9 mp -61.91 -36.53 81.6 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.861 175.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' HG3' HD21 ' A' ' 27' ' ' LEU . 56.8 mtpt -60.98 -28.32 68.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 177.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -73.91 -27.09 60.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.062 0.458 . . . . 0.0 110.286 175.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.72 -31.81 41.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.667 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 27' ' ' LEU . 28.5 t -86.15 -31.87 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.178 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -132.17 -40.99 0.2 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.445 -0.883 . . . . 0.0 113.506 -174.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 119.191 -0.433 . . . . 0.0 110.544 -178.118 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.756 -0.538 . . . . 0.0 111.756 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m -124.47 -66.14 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 177.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.24 -158.39 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.706 0.802 . . . . 0.0 112.672 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -70.56 -34.64 72.46 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.935 -176.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -56.47 -58.69 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.189 -176.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.522 HD13 HD13 ' B' ' 6' ' ' LEU . 4.3 mm? -63.63 -47.58 80.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -175.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.52 -38.9 82.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.37 . . . . 0.0 111.711 -177.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -80.66 -8.91 59.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.894 -176.24 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB3' ' HB ' ' B' ' 10' ' ' VAL . 14.3 mptt -100.58 -61.19 1.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.854 0.359 . . . . 0.0 111.757 173.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 6' ' ' LEU . 8.7 p -66.24 -40.17 86.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.161 -170.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.24 -33.91 32.51 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.262 0.553 . . . . 0.0 109.864 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 2.1 tm-20 -56.44 -51.54 68.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.689 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.632 HD23 ' HZ1' ' A' ' 16' ' ' LYS . 4.3 mp -73.5 -9.99 59.25 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.67 -14.21 61.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -52.19 -44.9 64.92 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.309 174.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.632 ' HZ1' HD23 ' A' ' 13' ' ' LEU . 15.6 pttm -64.38 -12.9 47.37 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' HB2' ' HE3' ' B' ' 16' ' ' LYS . 33.5 t-20 -63.76 -46.36 85.62 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.5 0.667 . . . . 0.0 109.249 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -76.85 -39.93 49.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.927 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.542 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 64.4 m170 -62.3 -53.16 59.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.716 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 16' ' ' LYS . 1.9 mm? -65.99 -34.28 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.997 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.66 -39.41 93.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.893 0.378 . . . . 0.0 110.137 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -67.01 -23.73 65.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.0 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 19.6 mm-40 -77.13 -46.69 22.62 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 20' ' ' LEU . 43.8 t -63.68 -39.58 85.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.677 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 28' ' ' LYS . . . -69.72 -29.52 66.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.855 -177.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 18.6 ptt180 -70.56 -39.73 73.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.361 0.601 . . . . 0.0 109.908 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 3.8 mt -67.9 -31.9 72.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.168 176.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 42.5 mmtm -51.36 -42.5 61.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.981 0.42 . . . . 0.0 110.835 172.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -76.13 -23.09 54.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.404 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 95.1 mt -80.23 -37.78 32.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.697 0.284 . . . . 0.0 110.828 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.2 t -82.85 -30.74 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.03 0.443 . . . . 0.0 110.417 178.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.21 -45.3 4.14 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.557 -176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.665 -178.312 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -124.55 -66.32 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.52 -158.41 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.689 0.796 . . . . 0.0 112.615 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -70.37 -34.94 73.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.937 -176.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -56.51 -58.35 8.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.32 -175.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 6' ' ' LEU . 4.3 mm? -63.75 -47.46 80.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -175.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -59.63 -39.13 83.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.7 -177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -80.27 -9.06 59.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -176.442 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.444 ' HB3' ' HB ' ' A' ' 10' ' ' VAL . 14.3 mptt -100.65 -61.16 1.4 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.759 0.314 . . . . 0.0 111.672 173.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.516 HG12 ' O ' ' B' ' 6' ' ' LEU . 8.5 p -66.28 -40.08 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.226 -170.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.09 -34.51 32.59 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.182 0.515 . . . . 0.0 109.651 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' B' ' 8' ' ' ASP . 2.3 tm-20 -56.22 -51.49 67.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.647 175.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.642 HD23 ' HZ1' ' B' ' 16' ' ' LYS . 4.3 mp -73.49 -10.0 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 175.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -72.47 -14.17 61.61 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.4 p -52.36 -44.68 65.37 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.234 174.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.642 ' HZ1' HD23 ' B' ' 13' ' ' LEU . 15.6 pttm -64.56 -13.08 51.18 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.453 ' HB2' ' HE3' ' A' ' 16' ' ' LYS . 33.4 t-20 -63.6 -46.55 85.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.507 0.67 . . . . 0.0 109.202 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -76.67 -39.77 51.14 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.0 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' B' ' 23' ' ' GLU . 64.6 m170 -62.53 -53.22 57.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.614 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' B' ' 16' ' ' LYS . 1.9 mm? -65.87 -34.42 78.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.42 -39.49 93.95 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.974 0.416 . . . . 0.0 110.176 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -67.19 -23.31 65.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.032 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' B' ' 19' ' ' HIS . 19.5 mm-40 -77.38 -46.77 21.71 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 20' ' ' LEU . 43.8 t -63.64 -39.87 86.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' B' ' 28' ' ' LYS . . . -69.68 -29.2 66.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.933 -177.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 18.6 ptt180 -70.7 -39.8 73.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.263 0.554 . . . . 0.0 109.768 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.56 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 3.9 mt -67.86 -31.88 72.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.271 176.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' B' ' 25' ' ' ALA . 42.6 mmtm -51.12 -42.87 60.99 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.943 0.402 . . . . 0.0 110.751 172.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -75.94 -23.42 55.43 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.37 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -80.0 -37.75 33.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.726 0.298 . . . . 0.0 110.853 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 37.1 t -83.01 -30.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.368 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.26 -45.37 4.11 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.464 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.63 -178.259 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.663 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 23.1 t -138.4 -83.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.0 mtp 58.9 174.12 0.07 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.89 0.852 . . . . 0.0 112.818 174.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -70.43 -32.43 70.03 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.915 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -66.63 -47.02 73.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.24 -173.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.663 ' HB2' ' O ' ' A' ' 2' ' ' SER . 7.1 mp -70.31 -34.06 72.27 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.019 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.446 ' HG3' ' OE1' ' A' ' 11' ' ' GLU . 0.4 OUTLIER -60.85 -46.38 90.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.201 177.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 13.2 m-20 -73.66 -20.11 60.65 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' HD2' HD23 ' B' ' 6' ' ' LEU . 91.9 mttt -98.28 -55.2 2.83 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.548 ' O ' HD23 ' A' ' 14' ' ' LEU . 60.9 t -67.48 -52.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.178 -175.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 45.9 mt-10 -68.65 -19.16 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.8 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 8' ' ' ASP . 9.9 tp10 -59.94 -53.15 61.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.282 172.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.406 HD23 ' OD1' ' B' ' 17' ' ' ASN . 6.2 mp -67.89 -26.83 66.2 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 175.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -52.9 -48.38 67.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 110.431 173.655 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.6 p -76.39 -33.11 58.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.842 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -61.64 -52.02 66.07 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 121.113 -0.235 . . . . 0.0 110.872 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.598 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -78.38 -16.29 57.8 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.523 -178.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.539 ' N ' HD22 ' A' ' 17' ' ' ASN . 74.4 t80 -63.73 -55.99 19.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.708 0.289 . . . . 0.0 110.467 175.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -67.5 -35.8 79.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.453 0.644 . . . . 0.0 110.021 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.639 HD11 HD11 ' B' ' 20' ' ' LEU . 0.3 OUTLIER -52.33 -46.31 66.0 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.096 172.844 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.552 ' N ' HD13 ' A' ' 20' ' ' LEU . 43.6 mt-10 -67.3 -18.3 65.13 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.362 -176.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -71.35 -32.99 69.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.401 0.62 . . . . 0.0 109.396 172.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.662 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 40.5 tt0 -75.25 -33.13 61.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.791 -178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.591 HG22 HG22 ' B' ' 24' ' ' VAL . 8.9 t -66.19 -35.43 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.43 -30.33 64.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.812 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.662 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -63.7 -43.65 95.97 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.248 0.547 . . . . 0.0 109.596 -179.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 24.9 mt -72.59 -44.45 62.01 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.225 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -52.74 -42.84 65.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.606 -178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.607 ' HA ' ' CA ' ' A' ' 33' ' ' GLU . 23.0 pttp -76.43 -24.34 53.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.452 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 65.6 mt -72.32 -31.38 65.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.917 0.389 . . . . 0.0 110.887 175.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 27' ' ' LEU . 17.2 t -84.69 -27.1 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -174.81 -30.65 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.567 -1.302 . . . . 0.0 114.284 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.607 ' CA ' ' HA ' ' A' ' 29' ' ' LYS . 38.6 tt0 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 117.239 0.519 . . . . 0.0 110.657 -173.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 112.348 -0.301 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.663 ' O ' ' HB2' ' B' ' 6' ' ' LEU . 22.6 t -138.03 -83.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 74.7 mtp 58.68 174.55 0.07 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.746 0.784 . . . . 0.0 112.943 174.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -70.9 -32.18 69.05 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.347 0.594 . . . . 0.0 109.922 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -66.54 -46.96 74.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.319 -173.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.663 ' HB2' ' O ' ' B' ' 2' ' ' SER . 7.1 mp -70.57 -34.06 71.79 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.073 -179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.435 ' HG3' ' OE1' ' B' ' 11' ' ' GLU . 0.4 OUTLIER -60.72 -46.58 89.87 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.106 177.566 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 11.7 m-20 -73.5 -20.22 60.73 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 -175.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.425 ' HD2' HD23 ' A' ' 6' ' ' LEU . 91.7 mttt -98.19 -55.34 2.8 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.795 -178.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.543 ' O ' HD23 ' B' ' 14' ' ' LEU . 60.9 t -67.26 -52.37 43.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.632 0.253 . . . . 0.0 111.267 -175.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' B' ' 14' ' ' LEU . 45.4 mt-10 -68.5 -19.66 64.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.788 0.328 . . . . 0.0 110.693 -177.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' B' ' 8' ' ' ASP . 10.1 tp10 -59.31 -53.31 59.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.232 172.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.404 ' HG ' ' HE3' ' B' ' 16' ' ' LYS . 6.3 mp -67.77 -27.03 66.42 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.543 HD23 ' O ' ' B' ' 10' ' ' VAL . 0.2 OUTLIER -52.75 -48.27 66.86 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.928 0.394 . . . . 0.0 110.466 173.546 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 4.3 p -76.54 -32.95 58.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.404 ' HE3' ' HG ' ' B' ' 13' ' ' LEU . 27.9 ttpp -62.11 -51.4 68.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.965 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.588 ' HA ' ' HB3' ' B' ' 20' ' ' LEU . 0.2 OUTLIER -78.58 -16.46 57.39 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.395 -0.522 . . . . 0.0 111.56 -179.099 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.547 ' N ' HD22 ' B' ' 17' ' ' ASN . 73.8 t80 -63.59 -56.13 18.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.746 0.308 . . . . 0.0 110.555 175.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -67.16 -36.05 80.99 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.411 0.624 . . . . 0.0 109.96 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -52.23 -46.44 65.69 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.067 172.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.551 ' N ' HD13 ' B' ' 20' ' ' LEU . 43.6 mt-10 -67.15 -18.23 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.288 -176.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -71.57 -32.68 68.34 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 40.3 tt0 -75.7 -32.93 60.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.705 -178.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 24' ' ' VAL . 8.7 t -66.26 -35.46 75.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.59 -29.99 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.752 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 0.3 OUTLIER -64.11 -43.4 95.42 Favored 'General case' 0 CA--C 1.522 -0.114 0 CA-C-O 121.355 0.598 . . . . 0.0 109.522 -179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 24.7 mt -72.67 -44.47 61.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.341 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -52.66 -42.69 64.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.567 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.606 ' HA ' ' CA ' ' B' ' 33' ' ' GLU . 22.9 pttp -76.61 -24.29 53.42 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.466 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 64.3 mt -72.45 -31.22 65.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.86 175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 27' ' ' LEU . 17.4 t -84.39 -28.44 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.789 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.48 -30.71 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 119.643 -1.265 . . . . 0.0 114.242 -177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.606 ' CA ' ' HA ' ' B' ' 29' ' ' LYS . 38.1 tt0 . . . . . 0 C--O 1.247 0.945 0 CA-C-N 117.177 0.489 . . . . 0.0 110.863 -173.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 112.193 -0.363 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 m 74.48 12.21 3.91 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.415 0.626 . . . . 0.0 110.665 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.5 tpt -79.06 -52.53 8.08 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.866 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 4' ' ' LYS . 4.3 ttmp? -66.57 -46.52 75.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.844 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 9' ' ' LYS . 1.5 mp0 -58.48 -46.09 87.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.249 -177.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.563 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 8.6 mp -68.71 -33.4 73.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.182 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -64.65 -38.06 89.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.93 0.395 . . . . 0.0 110.414 174.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 5.8 m-20 -68.86 -36.62 78.33 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.558 177.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 5' ' ' GLN . 68.1 mttm -59.43 -61.25 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.433 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -56.73 -39.53 64.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.694 0.283 . . . . 0.0 110.815 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 39.5 tt0 -63.03 -50.7 69.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.691 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.538 ' O ' ' HB3' ' A' ' 15' ' ' SER . 44.9 mt-10 -60.89 -46.85 88.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.151 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' B' ' 14' ' ' LEU . 6.4 mp -74.05 -14.25 60.97 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -177.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' HA ' HD22 ' A' ' 17' ' ' ASN . 4.6 pp -88.28 -17.15 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 119.413 -0.915 . . . . 0.0 109.736 169.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.538 ' HB3' ' O ' ' A' ' 12' ' ' GLU . 33.8 t -68.55 -46.07 70.47 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.686 171.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HE3' ' CG ' ' B' ' 17' ' ' ASN . 55.8 pttt -65.8 -19.8 66.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 119.861 -0.736 . . . . 0.0 111.477 176.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.526 HD22 ' HA ' ' A' ' 14' ' ' LEU . 8.6 m-80 -65.06 -38.58 91.27 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.833 0.349 . . . . 0.0 110.869 174.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -65.55 -42.71 91.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.405 . . . . 0.0 109.927 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -65.29 -38.38 90.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.236 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -43.4 98.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.452 174.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -64.87 -36.05 83.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.228 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -27.37 68.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.753 176.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 44.5 mt-10 -77.63 -40.53 41.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.042 177.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.2 t -67.82 -34.44 67.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.213 0.53 . . . . 0.0 110.618 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' O ' ' HD3' ' A' ' 29' ' ' LYS . . . -72.85 -37.3 67.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.437 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 6.8 ptp180 -68.88 -42.39 77.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.191 0.519 . . . . 0.0 110.654 -176.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 29.2 mt -65.49 -40.88 93.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.508 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -48.28 -41.43 27.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.044 176.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 25' ' ' ALA . 14.0 mptt -69.22 -40.98 77.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.911 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 26' ' ' ARG . 4.1 mm? -62.72 -35.01 78.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.416 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 27' ' ' LEU . 61.5 t -70.16 -28.91 37.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.839 0.352 . . . . 0.0 110.736 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.81 44.62 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.198 -1.001 . . . . 0.0 112.798 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 1.1 tm-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 119.071 -0.49 . . . . 0.0 110.511 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m 74.65 12.69 3.7 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.444 0.64 . . . . 0.0 110.671 175.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 17.8 tpt -79.18 -52.93 7.5 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.848 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 4.3 ttmp? -66.24 -46.48 77.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.788 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -58.72 -46.01 88.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.295 -177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 8.6 mp -68.81 -33.25 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.262 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -64.83 -37.99 89.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 110.35 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.6 -36.87 79.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.491 176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.29 -61.34 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.165 0.291 . . . . 0.0 111.453 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -56.64 -39.6 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.759 0.314 . . . . 0.0 110.787 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.84 -50.43 70.97 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' B' ' 15' ' ' SER . 45.0 mt-10 -61.3 -46.95 88.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.037 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 14' ' ' LEU . 6.4 mp -73.97 -14.44 61.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.535 ' HA ' HD22 ' B' ' 17' ' ' ASN . 4.6 pp -88.13 -17.11 31.71 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 119.387 -0.925 . . . . 0.0 109.728 169.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.548 ' HB3' ' O ' ' B' ' 12' ' ' GLU . 34.5 t -68.26 -46.4 70.52 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.614 171.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.427 ' HE3' ' CG ' ' A' ' 17' ' ' ASN . 56.6 pttt -65.87 -19.65 65.95 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 119.846 -0.742 . . . . 0.0 111.365 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . 0.535 HD22 ' HA ' ' B' ' 14' ' ' LEU . 8.6 m-80 -65.06 -38.68 91.6 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.725 0.298 . . . . 0.0 110.863 174.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -65.62 -42.7 91.26 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -65.3 -38.12 89.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.154 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -43.17 99.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.424 174.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -65.1 -36.03 83.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.215 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.18 -27.33 68.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.801 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' B' ' 26' ' ' ARG . 44.2 mt-10 -77.52 -40.74 41.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.092 177.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 30.9 t -67.79 -34.37 67.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.236 0.541 . . . . 0.0 110.642 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' B' ' 29' ' ' LYS . . . -72.72 -37.59 67.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.488 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' B' ' 23' ' ' GLU . 6.6 ptp180 -68.66 -42.34 78.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.176 0.512 . . . . 0.0 110.784 -176.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 29.1 mt -65.6 -40.65 92.9 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.616 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -48.41 -41.09 28.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.052 176.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' B' ' 25' ' ' ALA . 13.8 mptt -69.77 -40.89 75.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.834 178.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.42 HD23 ' O ' ' B' ' 26' ' ' ARG . 4.1 mm? -62.39 -35.24 78.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.445 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 27' ' ' LEU . 61.1 t -70.33 -28.45 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.869 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 147.74 44.41 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.309 -0.948 . . . . 0.0 112.976 179.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' B' ' 29' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.958 -0.544 . . . . 0.0 110.349 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.51 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 6.0 p -116.28 -59.58 1.96 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.784 0.326 . . . . 0.0 111.411 -178.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -71.36 -26.55 62.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -174.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -58.89 -52.93 63.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.718 0.294 . . . . 0.0 111.789 -174.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -98.01 -44.27 6.72 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.876 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.511 ' HB3' ' HB3' ' B' ' 6' ' ' LEU . 3.8 mm? -68.65 -46.36 69.38 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -173.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -65.72 -28.29 68.95 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.781 0.324 . . . . 0.0 110.926 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 1.1 m-20 -70.56 -33.01 70.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.799 0.333 . . . . 0.0 110.354 176.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -68.59 -38.08 80.36 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 6' ' ' LEU . 46.2 t -62.87 -49.51 83.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.942 173.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -56.98 -40.68 77.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.879 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 45.9 mt-10 -60.64 -50.53 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.603 176.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.3 -29.67 66.48 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.2 tm? -64.91 -40.29 94.84 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 171.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.3 t -62.43 -45.9 91.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.402 174.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -60.84 -48.38 82.06 Favored 'General case' 0 C--O 1.225 -0.196 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.05 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -51.41 -38.56 54.13 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.013 0.525 . . . . 0.0 111.342 177.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.74 -57.55 4.99 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.659 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.448 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 46.3 m80 -64.39 -33.76 76.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.258 -176.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 57.3 tp -73.88 -35.11 64.68 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.681 -178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -67.68 -33.83 75.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.206 0.527 . . . . 0.0 109.645 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -25.88 66.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.145 175.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.57 ' HA ' ' HG3' ' A' ' 26' ' ' ARG . 46.5 mt-10 -70.53 -42.45 71.21 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.582 HG22 HG22 ' B' ' 24' ' ' VAL . 4.8 t -63.43 -31.35 52.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.12 -24.9 58.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.74 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.57 ' HG3' ' HA ' ' A' ' 23' ' ' GLU . 82.4 mtt180 -62.64 -51.5 67.01 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.624 0.726 . . . . 0.0 109.268 178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 31' ' ' VAL . 9.2 mp -68.02 -25.87 65.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.604 -1.18 . . . . 0.0 111.668 -176.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -53.74 -43.46 69.15 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.147 0.499 . . . . 0.0 110.397 174.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 33' ' ' GLU . 8.1 mtpm? -70.01 -32.46 70.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.764 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.4 mt -71.62 -33.56 69.08 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.218 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 27' ' ' LEU . 41.3 t -79.34 -27.49 13.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.183 0.516 . . . . 0.0 110.082 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.97 66.12 0.03 OUTLIER Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.805 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.732 171.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.459 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' B' ' 6' ' ' LEU . 5.4 p -116.88 -59.53 1.95 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.7 0.286 . . . . 0.0 111.397 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -71.48 -26.53 62.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -59.13 -52.35 66.09 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -98.33 -44.42 6.55 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.511 ' HB3' ' HB3' ' A' ' 6' ' ' LEU . 3.8 mm? -68.7 -46.46 68.95 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -173.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.59 -28.38 69.1 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' B' ' 12' ' ' GLU . 1.1 m-20 -70.49 -33.02 70.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.323 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -68.65 -37.99 80.1 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 6' ' ' LEU . 45.6 t -62.73 -49.5 83.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.01 173.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -57.01 -40.94 77.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.813 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 8' ' ' ASP . 46.0 mt-10 -60.34 -50.58 73.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.638 176.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.19 -29.69 66.61 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.418 HD13 ' C ' ' B' ' 14' ' ' LEU . 3.2 tm? -64.83 -40.68 95.57 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 171.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -62.21 -45.81 91.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.342 174.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 mtmm -60.8 -48.34 82.25 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.073 175.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -51.56 -38.98 56.91 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 123.042 0.537 . . . . 0.0 111.323 177.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -69.28 -57.63 5.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.6 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.444 ' O ' ' HG3' ' B' ' 23' ' ' GLU . 46.3 m80 -64.31 -33.75 76.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -176.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' B' ' 23' ' ' GLU . 57.3 tp -73.83 -35.12 64.8 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.638 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -67.87 -33.77 75.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.286 0.565 . . . . 0.0 109.651 176.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.34 -25.93 67.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.16 175.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.571 ' HA ' ' HG3' ' B' ' 26' ' ' ARG . 45.6 mt-10 -70.48 -42.3 71.58 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.04 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.582 HG22 HG22 ' A' ' 24' ' ' VAL . 4.8 t -63.43 -31.45 52.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.03 -24.93 58.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.752 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.571 ' HG3' ' HA ' ' B' ' 23' ' ' GLU . 82.2 mtt180 -62.35 -52.18 64.67 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.757 0.789 . . . . 0.0 109.191 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.604 ' O ' HG23 ' B' ' 31' ' ' VAL . 9.1 mp -67.37 -26.14 66.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.636 -1.166 . . . . 0.0 111.703 -176.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -53.62 -43.15 68.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.108 0.48 . . . . 0.0 110.384 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' B' ' 33' ' ' GLU . 8.1 mtpm? -70.62 -31.89 69.02 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.72 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.99 -33.56 68.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.123 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 27' ' ' LEU . 41.4 t -79.39 -27.25 12.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.078 0.466 . . . . 0.0 110.186 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.69 66.47 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.897 0 C-N-CA 120.301 -0.952 . . . . 0.0 112.533 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' B' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.933 170.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 m -78.35 -31.67 48.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.729 0.3 . . . . 0.0 111.056 -178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.5 mmt -57.71 -35.91 71.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.793 -177.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -52.36 -57.85 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.367 0.417 . . . . 0.0 111.147 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' NE2' ' H ' ' A' ' 5' ' ' GLN . 1.7 mp0 -74.16 -32.62 63.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.748 -177.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.1 tp -67.28 -37.66 83.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.954 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.57 -35.0 78.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.916 0.389 . . . . 0.0 110.379 175.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 12.8 m-20 -70.62 -31.66 68.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.488 176.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 88.6 tttt -61.34 -46.55 89.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.795 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG22 HG22 ' B' ' 10' ' ' VAL . 59.2 t -62.08 -40.53 87.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.012 0.434 . . . . 0.0 110.376 177.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 47.3 mt-10 -64.82 -34.72 79.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.54 177.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 15.8 mm-40 -57.3 -48.12 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.913 173.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.62 -22.58 66.11 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 2.8 mt -60.36 -42.85 96.62 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.041 171.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.1 p -65.51 -36.87 85.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.299 -0.561 . . . . 0.0 109.565 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -57.84 -49.01 78.09 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.507 171.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -57.86 -56.54 20.68 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.033 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -63.36 -39.36 94.31 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -176.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -63.79 -45.78 88.16 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.465 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.601 ' HB3' ' HB3' ' B' ' 20' ' ' LEU . 3.5 mm? -67.81 -35.4 78.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.754 178.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -61.07 -43.35 99.02 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.117 0.484 . . . . 0.0 110.312 177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -71.38 -24.17 62.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.557 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' HD13 ' A' ' 27' ' ' LEU . 10.2 tp10 -74.8 -39.94 61.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.734 -177.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -70.61 -37.54 70.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.4 177.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.82 97.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.876 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.511 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 11.6 ptm180 -66.85 -44.32 81.3 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.303 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.632 ' HB3' ' HB3' ' B' ' 27' ' ' LEU . 10.9 mp -64.93 -34.45 78.45 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.861 177.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -55.56 -39.3 70.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.973 0.416 . . . . 0.0 110.457 176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -79.42 -24.76 42.28 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 26' ' ' ARG . 91.1 mt -72.83 -34.1 66.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.825 0.345 . . . . 0.0 110.183 176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 27' ' ' LEU . 60.7 t -75.08 -28.16 20.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.127 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.27 -43.92 6.09 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.473 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.506 -179.586 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.7 m -77.84 -31.76 51.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.628 0.252 . . . . 0.0 111.047 -178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 15.4 mmt -57.7 -35.77 71.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.688 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -52.63 -57.71 9.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.411 . . . . 0.0 111.019 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.409 ' NE2' ' H ' ' B' ' 5' ' ' GLN . 1.7 mp0 -74.38 -32.55 62.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.8 tp -67.12 -37.66 84.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.899 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.79 -34.62 77.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.334 175.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 12.3 m-20 -70.99 -31.71 68.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.303 176.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' B' ' 12' ' ' GLU . 88.5 tttt -61.29 -46.62 89.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.724 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . 0.495 HG22 HG22 ' A' ' 10' ' ' VAL . 59.1 t -62.01 -40.28 86.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.025 0.441 . . . . 0.0 110.415 177.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' B' ' 14' ' ' LEU . 47.8 mt-10 -64.9 -35.12 80.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.4 177.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' B' ' 9' ' ' LYS . 15.7 mm-40 -56.84 -48.1 78.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 173.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.82 -22.41 66.01 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.354 -0.539 . . . . 0.0 112.387 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' B' ' 11' ' ' GLU . 2.8 mt -60.52 -42.81 97.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.566 -0.453 . . . . 0.0 109.966 172.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 84.7 p -65.49 -36.84 85.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.285 -0.566 . . . . 0.0 109.585 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -57.97 -48.92 78.55 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.463 171.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -57.93 -56.64 19.37 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.018 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -63.25 -39.31 94.25 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -176.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -63.67 -45.72 88.83 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.576 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.601 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 3.5 mm? -68.0 -35.44 78.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.819 178.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.05 -43.47 98.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.209 0.528 . . . . 0.0 110.212 177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -71.27 -24.11 62.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.642 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.436 ' O ' HD13 ' B' ' 27' ' ' LEU . 10.2 tp10 -74.95 -39.74 61.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.799 -177.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.2 t -70.75 -37.72 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.219 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.53 96.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.962 -176.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 11.6 ptm180 -67.06 -44.28 80.54 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.349 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.632 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 10.9 mp -64.98 -34.21 77.9 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.802 177.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -55.9 -38.84 70.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.063 0.458 . . . . 0.0 110.495 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -79.58 -25.3 41.59 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.983 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' B' ' 26' ' ' ARG . 90.6 mt -72.38 -34.08 67.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.953 0.406 . . . . 0.0 110.18 176.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 27' ' ' LEU . 58.5 t -75.24 -27.73 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.203 176.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.19 -44.57 5.9 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.549 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.595 -179.66 . . . . . . . . 0 0 . 1 stop_ save_