data_2k9b_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 2k9b _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -47.4 -60.32 5.3 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -45.93 -38.24 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -80.18 -21.73 42.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.916 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.07 -23.14 28.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.128 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.13 -12.24 36.11 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.698 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.494 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 22.7 pttm -51.52 -27.98 12.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.509 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.4 -62.54 1.8 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.327 0.584 . . . . 0.0 109.444 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -47.88 -53.6 15.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.702 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.78 -51.77 0.13 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.355 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -77.86 -70.47 0.48 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.02 0.438 . . . . 0.0 110.255 179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.58 -11.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.557 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.795 0.331 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -50.2 -57.98 9.43 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -45.96 -39.71 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -76.88 -21.85 54.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.034 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.9 -23.87 28.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.428 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.07 -18.12 27.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -50.75 -31.96 18.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.481 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.91 -62.19 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.69 -54.15 20.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.775 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.7 -51.08 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.354 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -76.92 -70.47 0.46 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.108 0.48 . . . . 0.0 110.172 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.19 -24.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.68 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.738 0.304 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -47.8 -57.81 7.38 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -46.51 -40.01 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.51 -19.95 55.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.048 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.42 -22.71 26.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.324 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.73 -16.23 28.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -51.04 -34.78 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.81 -62.02 2.11 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.55 -54.16 15.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.747 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.49 -55.19 0.15 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.36 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.14 -68.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.086 0.469 . . . . 0.0 110.153 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.77 -17.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.646 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.819 0.342 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.81 -61.03 7.96 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -46.94 -33.93 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -80.42 -23.14 40.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.208 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -87.93 -26.93 22.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.425 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.64 -7.58 46.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 47.2 pttt -58.07 -43.33 86.92 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.596 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -45.72 -58.41 3.48 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.532 0.682 . . . . 0.0 109.187 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -50.52 -56.79 10.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.671 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -33.03 -65.95 0.15 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -67.84 -63.07 1.13 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.975 0.417 . . . . 0.0 110.139 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.29 -27.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.81 0.338 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -53.96 -62.63 5.91 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -45.06 -37.42 4.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.074 0.464 . . . . 0.0 109.923 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -78.8 -25.28 44.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.042 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.76 -22.22 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.241 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.21 -13.16 30.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.698 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 16.0 pttp -53.6 -46.58 70.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.442 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.51 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -47.7 -58.71 3.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.13 -56.49 7.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.584 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -32.15 -64.66 0.16 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.975 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -72.82 -61.77 1.69 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.97 0.414 . . . . 0.0 110.191 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.42 -21.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.627 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.834 0.349 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -58.6 -61.02 7.86 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -45.58 -35.64 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -79.3 -24.26 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.142 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.33 -26.62 24.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.484 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.78 -18.27 28.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.58 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 15.3 ptmt -46.53 -33.8 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.565 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.97 -62.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.222 0.534 . . . . 0.0 109.73 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LYS . . . -53.73 -55.34 27.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.011 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.99 -39.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.288 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -91.03 -76.78 0.43 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.962 0.411 . . . . 0.0 110.383 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.15 -25.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.02 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.636 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.802 0.334 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -55.21 -57.77 16.92 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -46.27 -36.03 5.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -79.91 -22.57 42.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.162 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.71 -23.31 23.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.33 -15.21 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.489 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -47.23 -34.18 6.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.462 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.13 -61.53 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.79 -54.26 15.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.752 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.96 -53.64 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.394 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -75.78 -69.92 0.46 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.992 0.425 . . . . 0.0 110.178 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.4 -21.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.697 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.793 0.33 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -60.75 -65.86 3.06 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -46.74 -32.51 3.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -81.54 -24.06 36.83 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.132 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.02 -23.94 26.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.26 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.44 -3.73 54.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.57 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -63.41 -37.13 86.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -60.42 3.33 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -51.04 -55.7 16.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.8 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -30.0 -55.25 0.17 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.221 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.5 mttt -75.24 -69.28 0.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.989 0.423 . . . . 0.0 110.086 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.35 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.768 0.318 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -66.78 -58.19 8.73 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -47.23 -28.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 109.832 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -81.73 -26.23 34.74 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.244 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.14 -25.97 27.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.346 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.83 -8.51 51.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.655 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 10.8 ptmm? -57.12 -41.12 78.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -55.18 -61.09 2.55 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.43 -55.13 14.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.704 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -30.06 -55.04 0.18 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.196 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.41 -69.19 0.55 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.983 0.421 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.65 -20.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.493 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.789 0.328 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -65.21 -58.53 9.39 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -45.42 -31.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.534 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . 47.6 mm-40 -78.08 -30.19 49.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.157 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -79.59 -25.25 41.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.308 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.25 -14.08 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.448 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 12' ' ' GLU . 19.3 pttm -45.36 -37.98 5.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.06 -60.85 2.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.395 0.617 . . . . 0.0 109.355 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -50.12 -54.89 17.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.848 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.8 -54.98 0.16 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.411 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.6 mttt -71.57 -68.01 0.48 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.135 0.493 . . . . 0.0 109.955 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.37 -19.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.732 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.573 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.692 0.282 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -54.02 -62.7 5.84 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -44.79 -36.5 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -78.26 -26.16 47.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.176 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.35 -21.39 30.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.269 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.16 -13.69 30.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.541 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -48.98 -30.15 5.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.459 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.59 -61.83 2.15 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.337 0.589 . . . . 0.0 109.437 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.53 -55.04 14.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.774 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.95 -53.35 0.15 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.66 -1.155 . . . . 0.0 111.228 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.4 mttt -77.29 -70.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.094 0.473 . . . . 0.0 110.188 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.9 -19.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.747 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.78 0.324 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -51.24 -61.97 5.8 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -46.1 -39.12 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -78.82 -20.81 48.81 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.082 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.05 -24.49 26.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.114 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.48 -14.91 36.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.588 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -54.54 -38.01 66.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.38 -61.65 2.26 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.38 -55.07 11.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.162 -0.927 . . . . 0.0 109.622 178.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -30.05 -54.7 0.17 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.259 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -78.5 -70.43 0.49 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.968 0.413 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.81 -20.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.801 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.756 0.312 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -68.65 -63.97 3.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -45.47 -31.74 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 109.94 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.0 -26.52 36.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.167 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.76 -23.35 27.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.303 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.44 -12.08 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.806 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.525 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 46.9 pttt -56.91 -47.38 80.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.526 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -50.04 -59.57 3.77 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -47.49 -55.41 9.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.516 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -33.23 -67.11 0.13 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.986 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -70.37 -64.48 0.89 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.998 0.427 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.09 -27.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.812 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.848 0.356 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -62.69 -57.87 14.5 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -47.34 -32.05 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.513 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . 49.7 mt-10 -78.95 -25.42 43.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.963 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -79.9 -23.34 41.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.15 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.51 -4.37 57.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.469 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' A' ' 12' ' ' GLU . 17.7 pttm -61.17 -35.25 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 -61.56 2.23 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.52 -55.16 14.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.852 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.94 -56.97 0.18 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.238 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.7 mttp -72.15 -67.53 0.53 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.045 0.45 . . . . 0.0 110.001 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.86 -21.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.801 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.574 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -50.77 -58.64 8.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -45.35 -38.48 5.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.053 0.454 . . . . 0.0 109.851 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -79.15 -22.39 45.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.206 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.99 -23.07 22.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.35 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -92.16 -19.27 22.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 46.6 pttt -45.48 -43.0 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.484 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -56.25 -61.75 2.18 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.46 -54.26 18.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.684 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.91 -52.8 0.14 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.213 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.5 mttt -78.63 -71.05 0.45 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 0.0 110.172 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.75 -16.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.785 0.326 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -59.36 -58.61 13.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -46.36 -36.14 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 109.81 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 64.9 mm-40 -79.02 -22.66 45.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.215 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.78 -26.89 23.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.344 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.95 -15.93 35.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 10.7 ptmm? -47.79 -41.63 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -55.33 -61.21 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.09 -54.48 15.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.798 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.99 -54.29 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.256 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -76.0 -68.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.42 -16.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.034 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.548 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.757 0.313 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.41 -60.88 8.17 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -45.61 -36.52 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.022 0.439 . . . . 0.0 109.825 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -78.96 -22.58 45.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.105 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.39 -24.47 25.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.439 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.96 -12.53 33.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -55.18 -38.11 67.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.41 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.93 -61.53 2.31 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.44 -55.57 12.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.579 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -30.28 -56.13 0.19 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.383 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.36 -70.72 0.45 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.026 0.441 . . . . 0.0 110.355 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.94 -21.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.777 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.786 0.327 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -65.64 -57.91 10.28 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -47.36 -27.74 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.614 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 34.9 mt-10 -82.91 -27.2 30.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.144 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.46 -26.07 24.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.313 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.87 -16.61 31.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.324 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 19.1 ptmt -44.61 -37.7 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.22 -61.49 2.43 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.34 -54.26 18.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.649 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.89 -55.54 0.17 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.263 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.36 -68.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.0 179.801 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.14 -17.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.7 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.736 0.303 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.15 -59.39 10.75 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -45.67 -36.82 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.76 -25.1 53.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.055 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -81.16 -22.94 38.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.153 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.38 -13.05 38.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.625 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -51.23 -34.98 34.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.412 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.49 -62.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -51.68 -55.55 18.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.903 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.87 -52.01 0.13 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.248 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' ALA . 6.5 mttt -77.6 -71.75 0.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.082 0.467 . . . . 0.0 109.998 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.44 -18.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.822 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -54.13 -57.12 17.95 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -46.52 -35.78 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -80.59 -21.26 41.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.239 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -91.04 -24.74 19.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.298 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.31 -17.56 24.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.414 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -44.08 -27.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.422 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.73 -61.57 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.56 -54.4 18.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.828 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.81 -54.3 0.16 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.651 -1.158 . . . . 0.0 111.222 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.11 -67.94 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.004 0.43 . . . . 0.0 109.976 179.727 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.12 -22.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.732 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 9.2 mp -67.77 -172.84 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 4' ' ' SER . 25.0 m0 54.72 -105.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.559 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 3' ' ' TRP . 9.8 p 60.31 142.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 mttp 52.11 42.91 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.6 tt -88.26 -35.15 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.663 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 10.2 ptpt -68.62 -45.61 71.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.532 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 7' ' ' LYS . . . -71.46 -32.67 68.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.11 0.481 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -73.48 -60.22 2.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.755 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -47.4 -60.32 5.3 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -45.93 -38.24 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -80.18 -21.73 42.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.916 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.07 -23.14 28.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.128 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.13 -12.24 36.11 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.698 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 22.7 pttm -51.52 -27.98 12.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.509 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.4 -62.54 1.8 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.327 0.584 . . . . 0.0 109.444 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -47.88 -53.6 15.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.702 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.78 -51.77 0.13 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.355 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -77.86 -70.47 0.48 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.02 0.438 . . . . 0.0 110.255 179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.58 -11.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -78.81 -68.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.557 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.65 -51.93 21.56 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.8 tmtt? -41.23 -70.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 110.708 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.74 -14.2 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.63 -45.69 35.91 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.637 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.4 ' O ' ' OG ' ' A' ' 30' ' ' SER . 1.1 mt -64.78 -26.02 68.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.435 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -57.99 -49.19 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.74 -71.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.9 t -42.64 -39.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 26' ' ' LEU . 75.6 m -64.7 -47.53 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -61.74 -43.0 99.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.26 -72.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.9 t -80.55 -76.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.8 mt -46.41 -59.74 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.317 . . . . 0.0 110.463 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -84.91 113.64 21.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -76.16 -140.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.389 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -68.85 0.15 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.405 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.9 mt -60.26 -26.11 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.684 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -54.12 -32.41 54.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.443 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.22 -32.43 70.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.197 0.522 . . . . 0.0 110.522 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.2 15.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.712 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -50.2 -57.98 9.43 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -45.96 -39.71 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -76.88 -21.85 54.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.034 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.9 -23.87 28.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.428 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.07 -18.12 27.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -50.75 -31.96 18.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.481 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.91 -62.19 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.69 -54.15 20.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.775 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.7 -51.08 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.354 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -76.92 -70.47 0.46 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.108 0.48 . . . . 0.0 110.172 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.19 -24.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -82.19 -66.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.68 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.4 -37.57 88.23 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -45.17 -69.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 0.0 110.413 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.29 -18.59 17.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.2 -44.76 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.526 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tp -78.89 -24.85 43.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.444 ' C ' HD21 ' A' ' 27' ' ' ASN . 0.2 OUTLIER -53.05 -40.71 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.33 -55.0 40.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.512 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 t -43.22 -51.09 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.9 m -58.63 -49.31 77.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.671 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -60.3 -39.01 85.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.24 -107.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.686 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t 49.71 90.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 3.9 mm? -55.67 -69.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.725 0.298 . . . . 0.0 110.221 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.8 t90 54.02 99.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.566 ' C ' ' H ' ' A' ' 6' ' ' ILE . 14.8 t -156.37 -93.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -72.65 26.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.566 ' H ' ' C ' ' A' ' 4' ' ' SER . 17.0 tt -84.03 -18.94 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.509 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -69.02 -38.56 79.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.48 -31.92 73.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.648 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.49 74.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -47.8 -57.81 7.38 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -46.51 -40.01 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.51 -19.95 55.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.048 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.42 -22.71 26.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.324 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.73 -16.23 28.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 ptmm? -51.04 -34.78 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.81 -62.02 2.11 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.55 -54.16 15.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.747 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.49 -55.19 0.15 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.36 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.14 -68.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.086 0.469 . . . . 0.0 110.153 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.77 -17.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -75.34 -66.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.646 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.18 -38.93 49.58 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.1 tmtt? -51.79 -69.49 0.11 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.359 . . . . 0.0 110.174 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.86 -29.29 62.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.3 -32.19 68.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.486 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -85.03 -11.37 55.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.513 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -47.06 -18.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' LEU . . . -55.13 -59.78 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -46.1 -44.81 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t -60.02 -46.8 88.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.448 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -63.29 -44.19 95.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.558 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.24 -81.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -78.71 -50.6 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 4' ' ' SER . 10.9 mp -84.83 -73.44 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -43.98 95.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 2' ' ' LEU . 18.0 t -155.31 142.42 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.351 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.9 tttp 69.79 1.77 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.35 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.9 mt -104.15 -39.76 5.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.593 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -74.6 -65.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.547 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.78 -31.25 16.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.087 0.47 . . . . 0.0 110.693 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.58 -43.18 65.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.455 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.81 -61.03 7.96 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -46.94 -33.93 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -80.42 -23.14 40.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.208 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -87.93 -26.93 22.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.425 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.64 -7.58 46.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 47.2 pttt -58.07 -43.33 86.92 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.596 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -45.72 -58.41 3.48 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.532 0.682 . . . . 0.0 109.187 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -50.52 -56.79 10.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.671 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -33.03 -65.95 0.15 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -67.84 -63.07 1.13 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.975 0.417 . . . . 0.0 110.139 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.29 -27.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -91.47 -72.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.95 -52.68 6.72 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -41.36 -69.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.5 -28.31 65.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.671 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.86 -52.12 65.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.559 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.41 -30.29 53.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.468 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -49.97 -35.07 22.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.59 -39.49 73.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.6 t -56.5 -42.68 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.6 m -59.05 -40.69 85.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.36 -25.0 60.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.88 -67.96 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.8 p -42.29 148.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.707 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.05 -1.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -78.8 137.58 37.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -76.22 -43.65 41.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.442 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.531 ' OG ' ' N ' ' A' ' 5' ' ' LYS . 7.7 p 60.95 -139.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.531 ' N ' ' OG ' ' A' ' 4' ' ' SER . 48.0 mttp -103.42 60.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.478 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.0 tt -63.01 -14.02 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.544 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -62.17 -83.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -48.45 -30.82 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.18 0.514 . . . . 0.0 110.661 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.48 -44.13 35.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.667 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -53.96 -62.63 5.91 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -45.06 -37.42 4.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.074 0.464 . . . . 0.0 109.923 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -78.8 -25.28 44.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.042 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.76 -22.22 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.241 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.21 -13.16 30.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.698 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 16.0 pttp -53.6 -46.58 70.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.442 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -47.7 -58.71 3.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.13 -56.49 7.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.584 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -32.15 -64.66 0.16 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.975 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -72.82 -61.77 1.69 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.97 0.414 . . . . 0.0 110.191 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.42 -21.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -78.59 -66.29 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.627 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.7 -44.83 7.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -47.71 -69.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 0.0 110.236 179.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -22.63 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.473 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.82 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.89 -36.71 75.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.452 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -52.99 -29.13 27.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.81 -35.84 24.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.413 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 82.9 t -56.39 -45.91 81.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.5 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.8 m -56.58 -46.06 80.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.5 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -58.94 -38.75 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.477 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.4 -127.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.6 t 54.53 80.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.525 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.415 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.58 53.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.769 0.318 . . . . 0.0 110.536 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -83.03 84.73 7.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 t -167.41 80.51 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp 46.65 70.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.7 tt -108.34 -3.72 10.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -66.68 -63.19 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.677 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.65 -31.99 17.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.135 0.493 . . . . 0.0 110.594 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.11 68.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.665 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -58.6 -61.02 7.86 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -45.58 -35.64 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -79.3 -24.26 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.142 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.33 -26.62 24.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.484 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.78 -18.27 28.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.58 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 15.3 ptmt -46.53 -33.8 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.565 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.97 -62.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.222 0.534 . . . . 0.0 109.73 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LYS . . . -53.73 -55.34 27.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.011 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.99 -39.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.288 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -91.03 -76.78 0.43 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.962 0.411 . . . . 0.0 110.383 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.15 -25.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.02 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -90.55 -73.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.636 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.49 -49.4 26.6 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -42.76 -69.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.288 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -36.61 71.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.534 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.1 -28.64 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 tp -83.98 -54.44 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.663 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.62 -46.81 88.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.06 -60.56 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.785 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.83 -44.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.616 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.8 t -63.72 -52.14 61.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.38 -28.38 69.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.7 -55.19 38.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.8 t -44.41 132.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.03 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.537 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 7.4 mp -74.57 106.34 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.414 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -78.86 174.73 11.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.553 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.64 ' HG ' ' N ' ' A' ' 5' ' ' LYS . 53.3 p -71.13 -144.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.682 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.64 ' N ' ' HG ' ' A' ' 4' ' ' SER . 16.8 pttp -73.38 14.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.714 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.465 ' H ' ' C ' ' A' ' 4' ' ' SER . 85.6 mt -61.87 -9.8 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.476 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -59.83 -51.0 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.398 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.66 -31.35 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.149 0.5 . . . . 0.0 110.707 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.72 -42.27 57.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.601 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -55.21 -57.77 16.92 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -46.27 -36.03 5.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -79.91 -22.57 42.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.162 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.71 -23.31 23.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.33 -15.21 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.489 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -47.23 -34.18 6.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.462 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.13 -61.53 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.79 -54.26 15.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.752 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.96 -53.64 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.394 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -75.78 -69.92 0.46 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.992 0.425 . . . . 0.0 110.178 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.4 -21.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.697 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -91.47 -66.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.85 -40.21 41.48 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 1.1 tmtm? -45.09 -68.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 110.173 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.89 -20.13 21.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.572 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.32 -39.86 38.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -69.5 -39.41 77.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -50.55 -34.36 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.2 -55.87 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.476 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -45.74 -51.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.409 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.9 m -53.19 -43.94 67.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.373 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.71 -41.02 89.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.35 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.97 -16.32 50.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.492 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.4 m -149.52 -115.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.008 -1.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' N ' ' CH2' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.419 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 1.7 tt -171.03 90.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.403 ' CH2' ' N ' ' A' ' 1' ' ' GLY . 20.5 m-90 -87.55 81.69 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.488 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -68.9 -38.28 79.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 7' ' ' LYS . 10.0 pttp -155.55 -104.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.417 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.424 ' H ' ' CG ' ' A' ' 5' ' ' LYS . 58.5 mt 57.85 -77.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.606 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' A' ' 5' ' ' LYS . 38.4 mtmt -45.57 -58.02 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.435 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.99 -30.7 65.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.126 0.489 . . . . 0.0 110.635 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -43.68 -25.47 0.18 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.745 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -60.75 -65.86 3.06 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -46.74 -32.51 3.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -81.54 -24.06 36.83 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.132 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.02 -23.94 26.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.26 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.44 -3.73 54.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.57 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -63.41 -37.13 86.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.509 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -60.42 3.33 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -51.04 -55.7 16.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.8 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -30.0 -55.25 0.17 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.221 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.5 mttt -75.24 -69.28 0.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.989 0.423 . . . . 0.0 110.086 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.35 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -89.21 -65.02 1.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.91 -42.42 86.29 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 3.2 tmtt? -40.62 -69.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.333 . . . . 0.0 110.466 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -25.63 60.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.626 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.99 68.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.667 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.66 -48.43 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' O ' ' OG ' ' A' ' 30' ' ' SER . 29.6 t30 -50.7 -30.95 15.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.573 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.02 -52.86 63.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.647 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.2 t -42.93 -47.72 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.658 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' NH2 . 40.3 p -57.97 -46.99 84.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.72 -44.07 93.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.623 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.44 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.571 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.38 -33.26 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' SER . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.982 -1.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 4' ' ' SER . 14.4 mt -137.67 -56.14 0.68 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.33 . . . . 0.0 110.462 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -57.17 80.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 2' ' ' LEU . 1.5 m -79.27 71.07 5.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.479 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.2 mttp 41.16 46.07 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.3 mt -68.63 -15.13 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.568 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -57.77 -56.47 21.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.7 71.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.048 0.452 . . . . 0.0 110.656 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.16 -31.16 70.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -66.78 -58.19 8.73 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -47.23 -28.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 109.832 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -81.73 -26.23 34.74 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.244 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.14 -25.97 27.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.346 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.83 -8.51 51.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.655 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 10.8 ptmm? -57.12 -41.12 78.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -55.18 -61.09 2.55 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.43 -55.13 14.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.704 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -30.06 -55.04 0.18 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.196 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.41 -69.19 0.55 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.983 0.421 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.65 -20.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -73.72 -66.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.493 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' ALA . . . -60.13 -44.8 96.99 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -40.08 -70.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.69 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.41 -19.21 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' GLY . . . -76.05 -50.21 15.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.756 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.85 -37.49 76.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -51.12 -33.37 26.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.633 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.81 76.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.584 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.6 t -46.43 -45.6 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.651 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.3 t -58.9 -50.59 73.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.45 -40.84 88.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.88 -33.9 11.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.52 -33.99 62.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.614 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.999 -1.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.42 33.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.457 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.516 ' H ' ' C ' ' A' ' 1' ' ' GLY . 48.4 t90 -96.47 0.24 50.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 6' ' ' ILE . 81.7 p -89.82 -34.69 16.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -74.26 19.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.321 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.529 ' H ' ' C ' ' A' ' 4' ' ' SER . 16.7 tt -98.01 6.54 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.443 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -58.05 -64.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.5 -31.79 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.063 0.458 . . . . 0.0 110.703 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -27.99 69.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.679 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -65.21 -58.53 9.39 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -45.42 -31.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.534 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . 47.6 mm-40 -78.08 -30.19 49.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.157 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -79.59 -25.25 41.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.308 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.25 -14.08 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.448 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 12' ' ' GLU . 19.3 pttm -45.36 -37.98 5.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.06 -60.85 2.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.395 0.617 . . . . 0.0 109.355 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -50.12 -54.89 17.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.848 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.8 -54.98 0.16 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.411 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.6 mttt -71.57 -68.01 0.48 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.135 0.493 . . . . 0.0 109.955 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.37 -19.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.732 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -79.14 -66.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.573 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.8 -33.29 2.46 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 5.0 tmtt? -61.83 -67.97 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.85 0.357 . . . . 0.0 110.362 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -6.96 22.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.796 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.11 -44.52 72.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.562 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -27.44 63.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -55.24 -23.53 23.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.33 -59.51 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.634 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.9 t -45.28 -43.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -61.46 -51.51 68.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.598 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.73 -36.08 66.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.42 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -46.42 -68.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.411 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.6 t -91.77 157.6 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.015 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.6 mt -90.09 -61.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.438 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -86.25 54.95 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.322 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 t -126.82 81.55 2.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp 48.04 61.06 3.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.0 tt -83.6 -38.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.562 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -63.75 -36.87 85.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.51 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.05 -31.52 72.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.155 0.502 . . . . 0.0 110.624 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.06 72.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.584 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -54.02 -62.7 5.84 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -44.79 -36.5 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -78.26 -26.16 47.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.176 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.35 -21.39 30.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.269 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.16 -13.69 30.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.541 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -48.98 -30.15 5.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.459 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.59 -61.83 2.15 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.337 0.589 . . . . 0.0 109.437 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.53 -55.04 14.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.774 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.95 -53.35 0.15 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.66 -1.155 . . . . 0.0 111.228 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.4 mttt -77.29 -70.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.094 0.473 . . . . 0.0 110.188 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.9 -19.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.747 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -87.07 -66.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.635 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -51.86 -39.32 47.6 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.7 tmtt? -47.29 -69.03 0.14 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.83 0.347 . . . . 0.0 110.345 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.46 53.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.601 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.27 -38.06 75.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.486 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tp -57.95 -28.67 64.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.466 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -53.78 -43.18 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.98 -52.92 59.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.9 t -45.43 -51.99 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.2 m -60.2 -46.83 88.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.588 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -60.42 -36.83 79.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.01 -51.66 60.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.65 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.9 t -51.7 -61.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.476 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 9.5 mp -80.3 150.35 29.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.512 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.0 t90 44.72 52.83 7.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.634 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 5' ' ' LYS . 9.3 t -78.48 94.71 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.513 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' SER . 17.9 pttm 31.27 62.31 0.24 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.087 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.0 tt -50.55 -19.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.635 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -50.76 -56.57 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.87 -31.41 72.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 0.0 110.593 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -60.55 -37.94 82.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.574 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -51.24 -61.97 5.8 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -46.1 -39.12 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -78.82 -20.81 48.81 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.082 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.05 -24.49 26.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.114 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.48 -14.91 36.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.588 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -54.54 -38.01 66.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.486 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.38 -61.65 2.26 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.38 -55.07 11.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.162 -0.927 . . . . 0.0 109.622 178.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -30.05 -54.7 0.17 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.259 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -78.5 -70.43 0.49 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.968 0.413 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.81 -20.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.801 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -85.26 -67.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -54.66 -45.21 78.88 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.6 tmtm? -42.55 -70.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.726 0.298 . . . . 0.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -21.62 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.21 -57.39 4.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.534 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.95 -10.17 59.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -60.71 -40.06 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.605 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.2 -41.91 63.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.49 -45.94 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -58.54 -42.53 88.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.349 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -66.48 -45.33 80.02 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.325 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.86 -68.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.4 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.6 t -105.31 142.63 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.52 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.983 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 9.2 mp -60.34 76.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.436 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 1' ' ' GLY . 24.3 t90 -163.99 -43.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.9 t -87.4 28.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.477 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -165.12 40.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.578 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 tt -125.71 -17.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.672 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -54.98 -41.9 71.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.651 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.09 -70.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.287 0.565 . . . . 0.0 110.655 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -7.43 2.46 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.678 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -68.65 -63.97 3.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -45.47 -31.74 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 109.94 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.0 -26.52 36.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.167 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.76 -23.35 27.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.303 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.44 -12.08 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.806 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.525 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 46.9 pttt -56.91 -47.38 80.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.526 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -50.04 -59.57 3.77 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -47.49 -55.41 9.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.516 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -33.23 -67.11 0.13 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.986 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -70.37 -64.48 0.89 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.998 0.427 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.09 -27.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.812 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -91.43 -67.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.69 -46.62 5.9 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.0 tmtt? -48.0 -69.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.335 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -30.81 70.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.723 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.05 -40.05 60.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.581 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.8 -32.12 65.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.582 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' C ' HD21 ' A' ' 27' ' ' ASN . 0.1 OUTLIER -53.5 -41.06 65.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.6 -50.94 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.2 -35.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.653 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -62.38 -45.9 91.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.45 -43.82 96.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.703 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.06 -86.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.92 -25.39 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.983 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.57 75.72 8.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 0.0 110.634 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -90.04 23.15 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.3 p -89.91 -28.04 19.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -144.61 79.53 1.61 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 tt -134.27 0.02 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -58.29 -37.16 74.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.86 73.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.092 0.472 . . . . 0.0 110.593 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.01 77.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.532 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -62.69 -57.87 14.5 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -47.34 -32.05 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.513 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . 49.7 mt-10 -78.95 -25.42 43.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.963 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -79.9 -23.34 41.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.15 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.51 -4.37 57.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.469 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' A' ' 12' ' ' GLU . 17.7 pttm -61.17 -35.25 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 -61.56 2.23 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.52 -55.16 14.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.852 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.94 -56.97 0.18 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.238 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.7 mttp -72.15 -67.53 0.53 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.045 0.45 . . . . 0.0 110.001 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.86 -21.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.801 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -77.28 -67.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.574 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -62.68 -36.49 93.36 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.7 tmtm? -47.27 -70.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.169 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.84 -31.94 51.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.78 -21.96 63.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.523 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.66 -43.68 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.461 HD21 ' C ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -57.79 -34.31 69.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.495 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.14 -56.35 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.56 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.9 t -44.88 -42.94 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 t -59.91 -52.27 66.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -61.27 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.2 -59.15 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.1 t -71.28 -101.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.507 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.392 0 O-C-N 119.96 -1.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.0 mt 50.05 17.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.574 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.41 ' N ' ' C ' ' A' ' 1' ' ' GLY . 5.3 m-90 44.39 65.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.605 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.3 p -90.11 53.24 2.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 45.02 48.7 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.6 mt -73.55 -9.56 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -56.61 -33.88 66.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.757 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.79 71.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.124 0.487 . . . . 0.0 110.662 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.57 -39.94 61.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.704 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -50.77 -58.64 8.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -45.35 -38.48 5.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.053 0.454 . . . . 0.0 109.851 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -79.15 -22.39 45.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.206 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.99 -23.07 22.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.35 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -92.16 -19.27 22.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' CG ' ' N ' ' A' ' 16' ' ' ALA . 46.6 pttt -45.48 -43.0 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.484 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -56.25 -61.75 2.18 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.46 -54.26 18.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.684 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.91 -52.8 0.14 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.213 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.5 mttt -78.63 -71.05 0.45 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 0.0 110.172 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.75 -16.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -76.01 -66.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.532 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.94 -53.78 6.27 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -40.91 -69.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.623 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.43 -19.31 55.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.78 -62.5 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.629 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -37.04 78.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.523 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -57.95 -42.17 84.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.607 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.56 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.8 t -43.2 -44.92 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.523 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 p -62.35 -47.85 82.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -61.15 -47.87 84.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.49 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.3 t -87.13 -69.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.601 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' CE3' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.7 mt -81.24 -13.67 58.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.477 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.502 ' CE3' ' O ' ' A' ' 1' ' ' GLY . 6.9 m-90 48.95 73.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.59 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 6' ' ' ILE . 17.3 t -149.62 -59.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.574 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -80.06 24.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.476 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.435 ' H ' ' C ' ' A' ' 4' ' ' SER . 2.2 pp -70.57 -7.81 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -79.98 -82.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -40.86 -30.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 0.0 110.69 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.67 -45.39 19.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.503 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -59.36 -58.61 13.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -46.36 -36.14 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 109.81 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 64.9 mm-40 -79.02 -22.66 45.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.215 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.78 -26.89 23.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.344 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.95 -15.93 35.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 10.7 ptmm? -47.79 -41.63 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -55.33 -61.21 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.09 -54.48 15.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.798 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.99 -54.29 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.256 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -76.0 -68.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.42 -16.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.034 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -73.65 -65.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.548 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.23 -33.85 77.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -47.42 -68.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.929 0.395 . . . . 0.0 110.234 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.02 -14.26 3.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.77 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.06 -17.31 40.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.66 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.0 -23.81 19.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.682 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -54.83 -44.3 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.613 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -62.64 1.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -40.88 -34.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.739 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -63.47 -55.69 22.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.635 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.47 -32.71 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.8 -65.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.2 114.03 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.048 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.98 152.75 22.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.815 0.341 . . . . 0.0 110.564 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -98.18 10.28 40.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.38 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.526 ' C ' ' H ' ' A' ' 6' ' ' ILE . 83.8 p -91.25 -25.95 19.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.778 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.69 7.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.526 ' H ' ' C ' ' A' ' 4' ' ' SER . 18.4 tt -52.76 -24.58 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -61.17 -43.25 99.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.703 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.22 -30.9 70.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.145 0.497 . . . . 0.0 110.621 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.82 -23.24 60.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.809 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.41 -60.88 8.17 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -45.61 -36.52 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.022 0.439 . . . . 0.0 109.825 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -78.96 -22.58 45.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.105 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.39 -24.47 25.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.439 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.96 -12.53 33.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -55.18 -38.11 67.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.41 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.93 -61.53 2.31 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.44 -55.57 12.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.579 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -30.28 -56.13 0.19 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.383 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.36 -70.72 0.45 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.026 0.441 . . . . 0.0 110.355 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.94 -21.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.777 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -83.23 -66.55 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.87 6.85 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.8 tmtt? -57.81 -68.76 0.21 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.897 0.38 . . . . 0.0 110.413 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.31 -8.15 16.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.921 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.36 -63.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.582 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -41.6 49.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.71 -43.46 97.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.08 90.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.2 t -43.4 -51.49 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.595 ' HG ' ' N ' ' A' ' 31' ' ' GLU . 46.9 p -55.91 -46.65 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.588 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.595 ' N ' ' HG ' ' A' ' 30' ' ' SER . 25.8 mt-10 -62.81 -50.21 71.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.416 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.54 -52.65 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.75 59.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.95 -1.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 10.0 mp -74.4 -98.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.729 0.3 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -48.41 114.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.284 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 t 173.83 -27.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -123.14 1.42 9.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.98 -26.82 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.545 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -76.24 -44.47 37.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.75 -30.63 70.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.189 0.518 . . . . 0.0 110.428 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.56 -44.09 36.28 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -65.64 -57.91 10.28 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -47.36 -27.74 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.614 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 34.9 mt-10 -82.91 -27.2 30.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.144 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.46 -26.07 24.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.313 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.87 -16.61 31.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.324 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 19.1 ptmt -44.61 -37.7 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.22 -61.49 2.43 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.34 -54.26 18.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.649 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.89 -55.54 0.17 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.263 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.36 -68.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.0 179.801 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.14 -17.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.7 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -89.43 -66.86 0.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.77 -35.68 12.34 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 1.1 tmtp? -56.02 -69.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.27 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.74 -18.21 53.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.664 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.99 -45.27 74.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.682 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.55 -28.46 66.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 56.5 t30 -50.89 -37.61 44.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.53 -33.45 45.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.78 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.57 -52.54 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.649 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.421 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 19.3 p -59.36 -48.15 82.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.643 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 27' ' ' ASN . 5.5 mp0 -60.96 -34.29 74.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.57 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.01 -29.5 63.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.637 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 t -71.96 65.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.042 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.423 ' H1 ' ' H ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 9.0 mp -75.85 -43.96 43.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 110.467 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.8 t90 -161.2 61.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.634 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -90.18 -62.93 1.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.51 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -161.11 54.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.363 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.562 ' N ' ' CD1' ' A' ' 6' ' ' ILE . 1.7 mp -79.42 -8.97 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -59.95 -50.72 72.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.784 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.55 72.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.04 0.448 . . . . 0.0 110.817 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.44 58.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.703 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.15 -59.39 10.75 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -45.67 -36.82 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.76 -25.1 53.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.055 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -81.16 -22.94 38.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.153 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.38 -13.05 38.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.625 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -51.23 -34.98 34.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.412 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.49 -62.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -51.68 -55.55 18.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.903 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.87 -52.01 0.13 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.248 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' ALA . 6.5 mttt -77.6 -71.75 0.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.082 0.467 . . . . 0.0 109.998 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.44 -18.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.822 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -87.34 -71.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -39.95 -55.62 2.81 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.2 tmtt? -41.78 -69.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.93 -20.16 63.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.014 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.16 86.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.728 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.53 -40.33 85.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.512 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -58.94 -34.8 72.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.19 -47.29 62.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.489 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -45.93 -39.41 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.621 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 t -60.56 -53.24 59.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -61.99 -50.18 73.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.39 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.57 -31.37 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.9 t -146.91 110.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.011 -1.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.5 mt -113.43 155.6 24.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.832 0.349 . . . . 0.0 110.534 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -81.78 13.61 3.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.1 t -92.23 4.07 54.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.699 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -97.43 -43.07 7.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.89 -22.16 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -62.02 -65.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.34 -32.83 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.097 0.475 . . . . 0.0 110.467 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.91 -44.69 60.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.732 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -54.13 -57.12 17.95 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -46.52 -35.78 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -80.59 -21.26 41.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.239 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -91.04 -24.74 19.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.298 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.31 -17.56 24.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.414 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -44.08 -27.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.422 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.73 -61.57 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.56 -54.4 18.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.828 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.81 -54.3 0.16 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.651 -1.158 . . . . 0.0 111.222 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.11 -67.94 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.004 0.43 . . . . 0.0 109.976 179.727 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.12 -22.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.732 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -75.01 -66.05 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.492 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.39 -28.41 59.24 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.0 tmtm? -59.3 -69.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.284 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.25 64.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.541 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.63 -42.76 71.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.539 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -42.26 70.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.514 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.83 -18.87 36.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.95 -37.94 64.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.619 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.4 t -56.38 -48.48 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.5 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 m -66.67 -46.73 74.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.629 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -62.11 -40.0 94.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.497 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.55 -65.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.1 t -76.47 -68.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -47.4 -60.32 5.3 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -45.93 -38.24 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -80.18 -21.73 42.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.916 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.07 -23.14 28.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.128 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.13 -12.24 36.11 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.698 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 22.7 pttm -51.52 -27.98 12.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.509 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.4 -62.54 1.8 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.327 0.584 . . . . 0.0 109.444 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -47.88 -53.6 15.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.702 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.78 -51.77 0.13 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.355 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -77.86 -70.47 0.48 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.02 0.438 . . . . 0.0 110.255 179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.58 -11.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.557 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.795 0.331 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -50.2 -57.98 9.43 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -45.96 -39.71 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -76.88 -21.85 54.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.034 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.9 -23.87 28.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.428 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.07 -18.12 27.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 17.6 pttp -50.75 -31.96 18.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.481 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.91 -62.19 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.69 -54.15 20.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.775 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.7 -51.08 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.354 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -76.92 -70.47 0.46 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.108 0.48 . . . . 0.0 110.172 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.19 -24.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.68 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.738 0.304 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -47.8 -57.81 7.38 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -46.51 -40.01 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.51 -19.95 55.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.048 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.42 -22.71 26.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.324 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.73 -16.23 28.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 11.4 ptmm? -51.04 -34.78 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.81 -62.02 2.11 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.55 -54.16 15.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.747 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.49 -55.19 0.15 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.36 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.14 -68.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.086 0.469 . . . . 0.0 110.153 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.77 -17.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.646 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.819 0.342 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.81 -61.03 7.96 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -46.94 -33.93 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -80.42 -23.14 40.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.208 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -87.93 -26.93 22.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.425 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.64 -7.58 46.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 47.2 pttt -58.07 -43.33 86.92 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.596 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -45.72 -58.41 3.48 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.532 0.682 . . . . 0.0 109.187 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -50.52 -56.79 10.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.671 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -33.03 -65.95 0.15 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -67.84 -63.07 1.13 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.975 0.417 . . . . 0.0 110.139 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.29 -27.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.81 0.338 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -53.96 -62.63 5.91 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -45.06 -37.42 4.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.074 0.464 . . . . 0.0 109.923 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -78.8 -25.28 44.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.042 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.76 -22.22 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.241 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.21 -13.16 30.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.698 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.614 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.0 pttp -53.6 -46.58 70.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.442 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.51 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -47.7 -58.71 3.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.13 -56.49 7.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.584 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -32.15 -64.66 0.16 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.975 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -72.82 -61.77 1.69 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.97 0.414 . . . . 0.0 110.191 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.42 -21.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.627 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.834 0.349 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -58.6 -61.02 7.86 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -45.58 -35.64 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -79.3 -24.26 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.142 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.33 -26.62 24.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.484 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.78 -18.27 28.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.58 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 15.3 ptmt -46.53 -33.8 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.565 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.97 -62.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.222 0.534 . . . . 0.0 109.73 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LYS . . . -53.73 -55.34 27.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.011 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.99 -39.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.288 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -91.03 -76.78 0.43 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.962 0.411 . . . . 0.0 110.383 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.15 -25.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.02 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.636 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.802 0.334 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -55.21 -57.77 16.92 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.461 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -46.27 -36.03 5.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -79.91 -22.57 42.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.162 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.71 -23.31 23.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.33 -15.21 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.489 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.4 pttt -47.23 -34.18 6.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.462 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.13 -61.53 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.79 -54.26 15.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.752 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.96 -53.64 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.394 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -75.78 -69.92 0.46 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.992 0.425 . . . . 0.0 110.178 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.4 -21.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.697 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.793 0.33 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -60.75 -65.86 3.06 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -46.74 -32.51 3.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -81.54 -24.06 36.83 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.132 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.02 -23.94 26.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.26 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.44 -3.73 54.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.57 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 18.2 pttp -63.41 -37.13 86.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.509 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -60.42 3.33 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -51.04 -55.7 16.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.8 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.0 -55.25 0.17 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.221 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.5 mttt -75.24 -69.28 0.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.989 0.423 . . . . 0.0 110.086 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.35 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.768 0.318 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -66.78 -58.19 8.73 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -47.23 -28.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 109.832 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -81.73 -26.23 34.74 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.244 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.14 -25.97 27.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.346 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.83 -8.51 51.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.655 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.8 ptmm? -57.12 -41.12 78.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -55.18 -61.09 2.55 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.43 -55.13 14.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.704 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.06 -55.04 0.18 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.196 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.41 -69.19 0.55 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.983 0.421 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.65 -20.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.493 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.789 0.328 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -65.21 -58.53 9.39 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -45.42 -31.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -78.08 -30.19 49.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.157 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -79.59 -25.25 41.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.308 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.25 -14.08 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.448 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 19.3 pttm -45.36 -37.98 5.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.06 -60.85 2.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.395 0.617 . . . . 0.0 109.355 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -50.12 -54.89 17.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.848 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.8 -54.98 0.16 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.411 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.6 mttt -71.57 -68.01 0.48 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.135 0.493 . . . . 0.0 109.955 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.37 -19.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.732 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.573 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.692 0.282 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -54.02 -62.7 5.84 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -44.79 -36.5 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -78.26 -26.16 47.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.176 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.35 -21.39 30.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.269 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.16 -13.69 30.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.541 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.7 pttt -48.98 -30.15 5.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.459 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.59 -61.83 2.15 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.337 0.589 . . . . 0.0 109.437 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.53 -55.04 14.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.774 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.95 -53.35 0.15 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.66 -1.155 . . . . 0.0 111.228 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.4 mttt -77.29 -70.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.094 0.473 . . . . 0.0 110.188 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.9 -19.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.747 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.78 0.324 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -51.24 -61.97 5.8 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -46.1 -39.12 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -78.82 -20.81 48.81 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.082 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.05 -24.49 26.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.114 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.48 -14.91 36.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.588 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 17.6 ptmt -54.54 -38.01 66.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.486 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.38 -61.65 2.26 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.38 -55.07 11.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.162 -0.927 . . . . 0.0 109.622 178.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.05 -54.7 0.17 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.259 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -78.5 -70.43 0.49 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.968 0.413 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.81 -20.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.801 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.756 0.312 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -68.65 -63.97 3.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -45.47 -31.74 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 109.94 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.0 -26.52 36.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.167 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.76 -23.35 27.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.303 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.44 -12.08 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.806 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.9 pttt -56.91 -47.38 80.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.526 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -50.04 -59.57 3.77 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -47.49 -55.41 9.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.516 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -33.23 -67.11 0.13 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.986 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -70.37 -64.48 0.89 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.998 0.427 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.09 -27.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.812 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.848 0.356 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -62.69 -57.87 14.5 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -47.34 -32.05 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.95 -25.42 43.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.963 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -79.9 -23.34 41.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.15 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.51 -4.37 57.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.469 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 17.7 pttm -61.17 -35.25 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 -61.56 2.23 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.52 -55.16 14.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.852 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.94 -56.97 0.18 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.238 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.7 mttp -72.15 -67.53 0.53 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.045 0.45 . . . . 0.0 110.001 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.86 -21.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.801 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.574 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -50.77 -58.64 8.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -45.35 -38.48 5.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.053 0.454 . . . . 0.0 109.851 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -79.15 -22.39 45.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.206 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.99 -23.07 22.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.35 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -92.16 -19.27 22.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.6 pttt -45.48 -43.0 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.484 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -56.25 -61.75 2.18 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.46 -54.26 18.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.684 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.91 -52.8 0.14 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.213 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.5 mttt -78.63 -71.05 0.45 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 0.0 110.172 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.75 -16.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.785 0.326 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -59.36 -58.61 13.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -46.36 -36.14 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 109.81 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 64.9 mm-40 -79.02 -22.66 45.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.215 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.78 -26.89 23.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.344 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.95 -15.93 35.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.7 ptmm? -47.79 -41.63 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -55.33 -61.21 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.09 -54.48 15.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.798 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.99 -54.29 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.256 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -76.0 -68.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.42 -16.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.034 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.548 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.757 0.313 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.41 -60.88 8.17 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -45.61 -36.52 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.022 0.439 . . . . 0.0 109.825 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -78.96 -22.58 45.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.105 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.39 -24.47 25.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.439 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.96 -12.53 33.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 12.5 pttm -55.18 -38.11 67.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.41 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.93 -61.53 2.31 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.44 -55.57 12.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.579 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.28 -56.13 0.19 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.383 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.36 -70.72 0.45 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.026 0.441 . . . . 0.0 110.355 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.94 -21.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.777 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.786 0.327 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -65.64 -57.91 10.28 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -47.36 -27.74 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.614 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 34.9 mt-10 -82.91 -27.2 30.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.144 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.46 -26.07 24.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.313 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.87 -16.61 31.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.324 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 19.1 ptmt -44.61 -37.7 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.22 -61.49 2.43 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.34 -54.26 18.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.649 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.89 -55.54 0.17 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.263 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.36 -68.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.0 179.801 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.14 -17.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.7 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.736 0.303 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.15 -59.39 10.75 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -45.67 -36.82 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.76 -25.1 53.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.055 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -81.16 -22.94 38.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.153 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.38 -13.05 38.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.625 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -51.23 -34.98 34.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.412 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.49 -62.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -51.68 -55.55 18.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.903 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.87 -52.01 0.13 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.248 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' ALA . 6.5 mttt -77.6 -71.75 0.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.082 0.467 . . . . 0.0 109.998 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.44 -18.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.822 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -54.13 -57.12 17.95 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -46.52 -35.78 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -80.59 -21.26 41.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.239 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -91.04 -24.74 19.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.298 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -92.31 -17.56 24.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.414 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 60.3 pttt -44.08 -27.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.422 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.73 -61.57 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.56 -54.4 18.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.828 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.81 -54.3 0.16 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.651 -1.158 . . . . 0.0 111.222 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.11 -67.94 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.004 0.43 . . . . 0.0 109.976 179.727 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.12 -22.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.732 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.2 mp -67.77 -172.84 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 4' ' ' SER . 25.0 m0 54.72 -105.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.559 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 3' ' ' TRP . 9.8 p 60.31 142.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 mttp 52.11 42.91 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.6 tt -88.26 -35.15 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.663 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 10.2 ptpt -68.62 -45.61 71.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.532 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 7' ' ' LYS . . . -71.46 -32.67 68.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.11 0.481 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -73.48 -60.22 2.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.755 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -47.4 -60.32 5.3 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -45.93 -38.24 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -80.18 -21.73 42.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.916 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.07 -23.14 28.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.128 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.13 -12.24 36.11 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.698 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 22.7 pttm -51.52 -27.98 12.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.509 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.4 -62.54 1.8 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.327 0.584 . . . . 0.0 109.444 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -47.88 -53.6 15.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.702 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.78 -51.77 0.13 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.355 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -77.86 -70.47 0.48 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.02 0.438 . . . . 0.0 110.255 179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.58 -11.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -78.81 -68.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.557 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.612 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -48.65 -51.93 21.56 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.8 tmtt? -41.23 -70.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 110.708 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.74 -14.2 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -75.63 -45.69 35.91 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.637 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.78 -26.02 68.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -57.99 -49.19 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.74 -71.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.423 HG23 ' H ' ' A' ' 29' ' ' VAL . 13.9 t -42.64 -39.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.6 m -64.7 -47.53 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -61.74 -43.0 99.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.26 -72.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.9 t -80.55 -76.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.8 mt -46.41 -59.74 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.317 . . . . 0.0 110.463 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -84.91 113.64 21.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -76.16 -140.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.389 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -68.85 0.15 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.405 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.9 mt -60.26 -26.11 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.684 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -54.12 -32.41 54.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.443 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.22 -32.43 70.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.197 0.522 . . . . 0.0 110.522 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.2 15.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.712 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -50.2 -57.98 9.43 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -45.96 -39.71 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -76.88 -21.85 54.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.034 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.9 -23.87 28.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.428 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.07 -18.12 27.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 17.6 pttp -50.75 -31.96 18.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.481 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.91 -62.19 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.69 -54.15 20.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.775 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.7 -51.08 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.354 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -76.92 -70.47 0.46 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.108 0.48 . . . . 0.0 110.172 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.19 -24.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -82.19 -66.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.68 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -58.4 -37.57 88.23 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -45.17 -69.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 0.0 110.413 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.29 -18.59 17.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -79.2 -44.76 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.526 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tp -78.89 -24.85 43.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -53.05 -40.71 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.33 -55.0 40.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.512 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 29' ' ' VAL . 16.6 t -43.22 -51.09 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.9 m -58.63 -49.31 77.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.671 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -60.3 -39.01 85.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.24 -107.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.686 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t 49.71 90.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 2' ' ' LEU . 3.9 mm? -55.67 -69.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.725 0.298 . . . . 0.0 110.221 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.8 t90 54.02 99.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.532 ' C ' ' H ' ' A' ' 6' ' ' ILE . 14.8 t -156.37 -93.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -72.65 26.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' ' 4' ' ' SER . 17.0 tt -84.03 -18.94 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.509 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -69.02 -38.56 79.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.48 -31.92 73.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.648 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.49 74.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -47.8 -57.81 7.38 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -46.51 -40.01 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.51 -19.95 55.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.048 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.42 -22.71 26.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.324 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.73 -16.23 28.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 11.4 ptmm? -51.04 -34.78 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.81 -62.02 2.11 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.55 -54.16 15.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.747 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.49 -55.19 0.15 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.36 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.14 -68.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.086 0.469 . . . . 0.0 110.153 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.77 -17.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -75.34 -66.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.646 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -52.18 -38.93 49.58 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.1 tmtt? -51.79 -69.49 0.11 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.359 . . . . 0.0 110.174 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.86 -29.29 62.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.3 -32.19 68.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.486 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -85.03 -11.37 55.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.513 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -47.06 -18.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' LEU . . . -55.13 -59.78 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -46.1 -44.81 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t -60.02 -46.8 88.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.448 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -63.29 -44.19 95.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.558 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.24 -81.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -78.71 -50.6 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 2' ' ' LEU . 10.9 mp -84.83 -73.44 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -43.98 95.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 2' ' ' LEU . 18.0 t -155.31 142.42 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.351 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.9 tttp 69.79 1.77 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.35 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.9 mt -104.15 -39.76 5.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.593 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -74.6 -65.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.547 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.78 -31.25 16.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.087 0.47 . . . . 0.0 110.693 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.58 -43.18 65.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.455 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.81 -61.03 7.96 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -46.94 -33.93 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -80.42 -23.14 40.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.208 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -87.93 -26.93 22.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.425 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.64 -7.58 46.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 47.2 pttt -58.07 -43.33 86.92 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.596 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -45.72 -58.41 3.48 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.532 0.682 . . . . 0.0 109.187 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -50.52 -56.79 10.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.671 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -33.03 -65.95 0.15 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -67.84 -63.07 1.13 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.975 0.417 . . . . 0.0 110.139 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.29 -27.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -91.47 -72.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.53 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -43.95 -52.68 6.72 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -41.36 -69.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.5 -28.31 65.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.671 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.86 -52.12 65.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.559 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.41 -30.29 53.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.468 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -49.97 -35.07 22.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.59 -39.49 73.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 38.6 t -56.5 -42.68 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.6 m -59.05 -40.69 85.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.36 -25.0 60.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -44.88 -67.96 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.8 p -42.29 148.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.707 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.05 -1.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -78.8 137.58 37.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -76.22 -43.65 41.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.442 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.531 ' OG ' ' N ' ' A' ' 5' ' ' LYS . 7.7 p 60.95 -139.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.531 ' N ' ' OG ' ' A' ' 4' ' ' SER . 48.0 mttp -103.42 60.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.478 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.0 tt -63.01 -14.02 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.544 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -62.17 -83.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -48.45 -30.82 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.18 0.514 . . . . 0.0 110.661 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.48 -44.13 35.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.667 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -53.96 -62.63 5.91 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -45.06 -37.42 4.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.074 0.464 . . . . 0.0 109.923 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -78.8 -25.28 44.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.042 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.76 -22.22 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.241 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.21 -13.16 30.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.698 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.614 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.0 pttp -53.6 -46.58 70.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.442 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -47.7 -58.71 3.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.13 -56.49 7.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.584 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -32.15 -64.66 0.16 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.975 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -72.82 -61.77 1.69 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.97 0.414 . . . . 0.0 110.191 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.42 -21.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -78.59 -66.29 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.627 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.491 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -43.7 -44.83 7.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -47.71 -69.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 0.0 110.236 179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -22.63 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.473 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -69.76 -44.82 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.89 -36.71 75.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.452 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -52.99 -29.13 27.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.81 -35.84 24.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.413 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 82.9 t -56.39 -45.91 81.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.5 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.8 m -56.58 -46.06 80.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.5 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -58.94 -38.75 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.477 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.4 -127.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.6 t 54.53 80.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.525 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.415 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.58 53.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.769 0.318 . . . . 0.0 110.536 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -83.03 84.73 7.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 t -167.41 80.51 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp 46.65 70.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.7 tt -108.34 -3.72 10.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -66.68 -63.19 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.677 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.65 -31.99 17.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.135 0.493 . . . . 0.0 110.594 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.11 68.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.665 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -58.6 -61.02 7.86 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -45.58 -35.64 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -79.3 -24.26 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.142 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.33 -26.62 24.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.484 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.78 -18.27 28.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.58 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 15.3 ptmt -46.53 -33.8 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.565 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.97 -62.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.222 0.534 . . . . 0.0 109.73 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LYS . . . -53.73 -55.34 27.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.011 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.99 -39.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.288 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -91.03 -76.78 0.43 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.962 0.411 . . . . 0.0 110.383 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.15 -25.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.02 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -90.55 -73.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.636 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -48.49 -49.4 26.6 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -42.76 -69.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.288 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -36.61 71.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.534 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -51.1 -28.64 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.575 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 tp -83.98 -54.44 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.663 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.62 -46.81 88.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.06 -60.56 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.785 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.83 -44.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.616 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.8 t -63.72 -52.14 61.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.38 -28.38 69.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.7 -55.19 38.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.8 t -44.41 132.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.03 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.4 mp -74.57 106.34 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.414 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.514 ' CE3' HD12 ' A' ' 6' ' ' ILE . 23.5 m95 -78.86 174.73 11.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.553 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 6' ' ' ILE . 53.3 p -71.13 -144.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.682 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -73.38 14.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.714 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.514 HD12 ' CE3' ' A' ' 3' ' ' TRP . 85.6 mt -61.87 -9.8 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.476 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -59.83 -51.0 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.398 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.66 -31.35 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.149 0.5 . . . . 0.0 110.707 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 6' ' ' ILE . . . -50.72 -42.27 57.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.601 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -55.21 -57.77 16.92 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -46.27 -36.03 5.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -79.91 -22.57 42.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.162 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.71 -23.31 23.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.33 -15.21 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.489 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.4 pttt -47.23 -34.18 6.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.462 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.13 -61.53 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.79 -54.26 15.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.752 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.96 -53.64 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.394 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -75.78 -69.92 0.46 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.992 0.425 . . . . 0.0 110.178 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.4 -21.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.697 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -91.47 -66.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -50.85 -40.21 41.48 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 1.1 tmtm? -45.09 -68.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 110.173 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.89 -20.13 21.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.572 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -78.32 -39.86 38.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -69.5 -39.41 77.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -50.55 -34.36 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.2 -55.87 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.476 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -45.74 -51.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.409 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.9 m -53.19 -43.94 67.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.373 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.71 -41.02 89.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.35 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.97 -16.32 50.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.492 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.4 m -149.52 -115.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.008 -1.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' N ' ' CH2' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 2' ' ' LEU . 1.7 tt -171.03 90.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.402 ' CH2' ' N ' ' A' ' 1' ' ' GLY . 20.5 m-90 -87.55 81.69 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.488 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -68.9 -38.28 79.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 7' ' ' LYS . 10.0 pttp -155.55 -104.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.417 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.52 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 58.5 mt 57.85 -77.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.606 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' A' ' 5' ' ' LYS . 38.4 mtmt -45.57 -58.02 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.435 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.99 -30.7 65.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.126 0.489 . . . . 0.0 110.635 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 6' ' ' ILE . . . -43.68 -25.47 0.18 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.745 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -60.75 -65.86 3.06 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -46.74 -32.51 3.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -81.54 -24.06 36.83 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.132 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.02 -23.94 26.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.26 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.44 -3.73 54.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.57 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 18.2 pttp -63.41 -37.13 86.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.509 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -60.42 3.33 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -51.04 -55.7 16.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.8 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.0 -55.25 0.17 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.221 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.5 mttt -75.24 -69.28 0.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.989 0.423 . . . . 0.0 110.086 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.35 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -89.21 -65.02 1.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.482 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -55.91 -42.42 86.29 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 3.2 tmtt? -40.62 -69.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.333 . . . . 0.0 110.466 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -25.63 60.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.626 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -71.11 -42.99 68.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.667 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.66 -48.43 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -50.7 -30.95 15.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.573 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.02 -52.86 63.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.647 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' H ' HG23 ' A' ' 29' ' ' VAL . 23.2 t -42.93 -47.72 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.658 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' NH2 . 40.3 p -57.97 -46.99 84.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.72 -44.07 93.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.623 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.44 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.571 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.38 -33.26 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' SER . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.982 -1.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 4' ' ' SER . 14.4 mt -137.67 -56.14 0.68 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.33 . . . . 0.0 110.462 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -57.17 80.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 2' ' ' LEU . 1.5 m -79.27 71.07 5.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.479 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.2 mttp 41.16 46.07 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' O ' HG22 ' A' ' 6' ' ' ILE . 93.3 mt -68.63 -15.13 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.568 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -57.77 -56.47 21.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.7 71.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.048 0.452 . . . . 0.0 110.656 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.16 -31.16 70.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -66.78 -58.19 8.73 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -47.23 -28.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 109.832 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -81.73 -26.23 34.74 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.244 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.14 -25.97 27.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.346 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.83 -8.51 51.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.655 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.8 ptmm? -57.12 -41.12 78.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -55.18 -61.09 2.55 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.43 -55.13 14.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.704 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.06 -55.04 0.18 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.196 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.41 -69.19 0.55 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.983 0.421 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.65 -20.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -73.72 -66.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.493 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.58 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -60.13 -44.8 96.99 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -40.08 -70.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.69 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.41 -19.21 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -76.05 -50.21 15.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.756 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.85 -37.49 76.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -51.12 -33.37 26.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.633 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.81 76.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.584 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.6 t -46.43 -45.6 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.651 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.3 t -58.9 -50.59 73.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.45 -40.84 88.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.88 -33.9 11.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.52 -33.99 62.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.614 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.999 -1.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.42 33.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.457 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.479 ' O ' HG22 ' A' ' 6' ' ' ILE . 48.4 t90 -96.47 0.24 50.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 6' ' ' ILE . 81.7 p -89.82 -34.69 16.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -74.26 19.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.321 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.488 ' H ' ' C ' ' A' ' 4' ' ' SER . 16.7 tt -98.01 6.54 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.443 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -58.05 -64.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.5 -31.79 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.063 0.458 . . . . 0.0 110.703 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 6' ' ' ILE . . . -61.83 -27.99 69.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.679 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -65.21 -58.53 9.39 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -45.42 -31.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -78.08 -30.19 49.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.157 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -79.59 -25.25 41.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.308 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.25 -14.08 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.448 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 19.3 pttm -45.36 -37.98 5.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.06 -60.85 2.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.395 0.617 . . . . 0.0 109.355 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -50.12 -54.89 17.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.848 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.8 -54.98 0.16 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.411 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.6 mttt -71.57 -68.01 0.48 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.135 0.493 . . . . 0.0 109.955 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.37 -19.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.732 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -79.14 -66.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.573 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.8 -33.29 2.46 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 5.0 tmtt? -61.83 -67.97 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.85 0.357 . . . . 0.0 110.362 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -6.96 22.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.796 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.11 -44.52 72.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.562 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -27.44 63.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -55.24 -23.53 23.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.33 -59.51 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.634 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 73.9 t -45.28 -43.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.397 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -61.46 -51.51 68.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.598 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.73 -36.08 66.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.42 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -46.42 -68.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.411 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.6 t -91.77 157.6 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.015 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.6 mt -90.09 -61.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.438 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -86.25 54.95 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.322 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 t -126.82 81.55 2.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp 48.04 61.06 3.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 7' ' ' LYS . 20.0 tt -83.6 -38.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.562 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 6' ' ' ILE . 79.0 mttt -63.75 -36.87 85.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.05 -31.52 72.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.155 0.502 . . . . 0.0 110.624 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.06 72.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.584 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -54.02 -62.7 5.84 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -44.79 -36.5 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -78.26 -26.16 47.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.176 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.35 -21.39 30.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.269 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.16 -13.69 30.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.541 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.7 pttt -48.98 -30.15 5.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.459 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.59 -61.83 2.15 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.337 0.589 . . . . 0.0 109.437 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.53 -55.04 14.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.774 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.95 -53.35 0.15 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.66 -1.155 . . . . 0.0 111.228 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.4 mttt -77.29 -70.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.094 0.473 . . . . 0.0 110.188 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.9 -19.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.747 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -87.07 -66.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.635 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -51.86 -39.32 47.6 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.7 tmtt? -47.29 -69.03 0.14 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.83 0.347 . . . . 0.0 110.345 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.46 53.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.601 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -70.27 -38.06 75.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.486 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tp -57.95 -28.67 64.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.466 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -53.78 -43.18 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.98 -52.92 59.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.446 HG23 ' H ' ' A' ' 29' ' ' VAL . 13.9 t -45.43 -51.99 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.2 m -60.2 -46.83 88.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.588 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -60.42 -36.83 79.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.01 -51.66 60.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.65 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.9 t -51.7 -61.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.5 mp -80.3 150.35 29.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.512 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.0 t90 44.72 52.83 7.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.634 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 5' ' ' LYS . 9.3 t -78.48 94.71 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.513 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' SER . 17.9 pttm 31.27 62.31 0.24 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.087 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.0 tt -50.55 -19.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.635 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -50.76 -56.57 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.87 -31.41 72.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 0.0 110.593 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -60.55 -37.94 82.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.574 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -51.24 -61.97 5.8 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -46.1 -39.12 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -78.82 -20.81 48.81 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.082 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.05 -24.49 26.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.114 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.48 -14.91 36.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.588 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 17.6 ptmt -54.54 -38.01 66.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.486 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.38 -61.65 2.26 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.38 -55.07 11.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.162 -0.927 . . . . 0.0 109.622 178.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.05 -54.7 0.17 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.259 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -78.5 -70.43 0.49 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.968 0.413 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.81 -20.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.801 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -85.26 -67.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -54.66 -45.21 78.88 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.6 tmtm? -42.55 -70.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.726 0.298 . . . . 0.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -21.62 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -72.21 -57.39 4.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.534 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.95 -10.17 59.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -60.71 -40.06 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.605 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.2 -41.91 63.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.49 -45.94 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -58.54 -42.53 88.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.349 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -66.48 -45.33 80.02 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.325 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.86 -68.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.4 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.6 t -105.31 142.63 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.52 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.983 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.2 mp -60.34 76.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.436 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 1' ' ' GLY . 24.3 t90 -163.99 -43.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.9 t -87.4 28.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.477 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -165.12 40.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.578 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 tt -125.71 -17.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.672 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -54.98 -41.9 71.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.651 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.09 -70.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.287 0.565 . . . . 0.0 110.655 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -7.43 2.46 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.678 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -68.65 -63.97 3.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -45.47 -31.74 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 109.94 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.0 -26.52 36.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.167 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.76 -23.35 27.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.303 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.44 -12.08 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.806 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.9 pttt -56.91 -47.38 80.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.526 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -50.04 -59.57 3.77 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -47.49 -55.41 9.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.516 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -33.23 -67.11 0.13 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.986 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -70.37 -64.48 0.89 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.998 0.427 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.09 -27.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.812 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -91.43 -67.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -42.69 -46.62 5.9 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.0 tmtt? -48.0 -69.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.335 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -30.81 70.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.723 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -52.05 -40.05 60.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.581 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.8 -32.12 65.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.582 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -53.5 -41.06 65.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.6 -50.94 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.2 -35.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.653 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -62.38 -45.9 91.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.45 -43.82 96.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.703 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.06 -86.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.92 -25.39 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.983 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.57 75.72 8.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 0.0 110.634 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -90.04 23.15 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.3 p -89.91 -28.04 19.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -144.61 79.53 1.61 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 tt -134.27 0.02 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -58.29 -37.16 74.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.86 73.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.092 0.472 . . . . 0.0 110.593 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.01 77.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.532 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -62.69 -57.87 14.5 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -47.34 -32.05 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.95 -25.42 43.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.963 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -79.9 -23.34 41.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.15 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.51 -4.37 57.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.469 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 17.7 pttm -61.17 -35.25 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 -61.56 2.23 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.52 -55.16 14.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.852 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.94 -56.97 0.18 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.238 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.7 mttp -72.15 -67.53 0.53 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.045 0.45 . . . . 0.0 110.001 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.86 -21.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.801 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -77.28 -67.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.574 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -62.68 -36.49 93.36 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.7 tmtm? -47.27 -70.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.169 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.84 -31.94 51.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -60.78 -21.96 63.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.523 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.66 -43.68 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.476 HD22 ' C ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -57.79 -34.31 69.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.495 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.14 -56.35 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.56 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.9 t -44.88 -42.94 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 t -59.91 -52.27 66.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -61.27 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.2 -59.15 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.1 t -71.28 -101.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.507 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.392 0 O-C-N 119.96 -1.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.0 mt 50.05 17.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.574 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.41 ' N ' ' C ' ' A' ' 1' ' ' GLY . 5.3 m-90 44.39 65.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.605 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.3 p -90.11 53.24 2.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 45.02 48.7 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.461 ' O ' HG22 ' A' ' 6' ' ' ILE . 66.6 mt -73.55 -9.56 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -56.61 -33.88 66.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.757 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.79 71.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.124 0.487 . . . . 0.0 110.662 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.57 -39.94 61.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.704 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -50.77 -58.64 8.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -45.35 -38.48 5.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.053 0.454 . . . . 0.0 109.851 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -79.15 -22.39 45.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.206 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.99 -23.07 22.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.35 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -92.16 -19.27 22.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.6 pttt -45.48 -43.0 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.484 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -56.25 -61.75 2.18 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.46 -54.26 18.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.684 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.91 -52.8 0.14 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.213 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.5 mttt -78.63 -71.05 0.45 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 0.0 110.172 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.75 -16.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -76.01 -66.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.532 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.561 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -43.94 -53.78 6.27 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -40.91 -69.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.623 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.43 -19.31 55.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -70.78 -62.5 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.629 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -37.04 78.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.523 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -57.95 -42.17 84.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.607 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.56 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 29' ' ' VAL . 13.8 t -43.2 -44.92 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.523 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 p -62.35 -47.85 82.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -61.15 -47.87 84.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.49 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.3 t -87.13 -69.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.601 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' CE3' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.7 mt -81.24 -13.67 58.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.477 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.502 ' CE3' ' O ' ' A' ' 1' ' ' GLY . 6.9 m-90 48.95 73.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.59 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 6' ' ' ILE . 17.3 t -149.62 -59.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.574 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -80.06 24.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.476 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' H ' ' C ' ' A' ' 4' ' ' SER . 2.2 pp -70.57 -7.81 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -79.98 -82.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -40.86 -30.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 0.0 110.69 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.67 -45.39 19.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.503 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -59.36 -58.61 13.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -46.36 -36.14 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 109.81 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 64.9 mm-40 -79.02 -22.66 45.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.215 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.78 -26.89 23.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.344 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.95 -15.93 35.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.7 ptmm? -47.79 -41.63 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -55.33 -61.21 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.09 -54.48 15.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.798 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.99 -54.29 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.256 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -76.0 -68.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.42 -16.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.034 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -73.65 -65.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.548 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -59.23 -33.85 77.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -47.42 -68.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.929 0.395 . . . . 0.0 110.234 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.02 -14.26 3.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.77 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -84.06 -17.31 40.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.66 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.0 -23.81 19.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.682 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -54.83 -44.3 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.613 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -62.64 1.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -40.88 -34.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.739 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -63.47 -55.69 22.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.635 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.47 -32.71 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.8 -65.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.2 114.03 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.048 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 2' ' ' LEU . 6.3 mp -85.98 152.75 22.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.815 0.341 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -98.18 10.28 40.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.38 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.492 ' C ' ' H ' ' A' ' 6' ' ' ILE . 83.8 p -91.25 -25.95 19.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.778 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.69 7.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 4' ' ' SER . 18.4 tt -52.76 -24.58 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -61.17 -43.25 99.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.703 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.22 -30.9 70.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.145 0.497 . . . . 0.0 110.621 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.82 -23.24 60.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.809 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.41 -60.88 8.17 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -45.61 -36.52 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.022 0.439 . . . . 0.0 109.825 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -78.96 -22.58 45.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.105 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.39 -24.47 25.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.439 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.96 -12.53 33.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 12.5 pttm -55.18 -38.11 67.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.41 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.93 -61.53 2.31 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.44 -55.57 12.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.579 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.28 -56.13 0.19 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.383 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.36 -70.72 0.45 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.026 0.441 . . . . 0.0 110.355 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.94 -21.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.777 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -83.23 -66.55 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -46.14 -35.87 6.85 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.8 tmtt? -57.81 -68.76 0.21 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.897 0.38 . . . . 0.0 110.413 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.31 -8.15 16.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.921 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -73.36 -63.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -41.6 49.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.71 -43.46 97.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.08 90.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.2 t -43.4 -51.49 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 p -55.91 -46.65 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.588 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -62.81 -50.21 71.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.416 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.54 -52.65 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.75 59.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.95 -1.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 2' ' ' LEU . 10.0 mp -74.4 -98.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.729 0.3 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -48.41 114.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.284 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 t 173.83 -27.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -123.14 1.42 9.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.98 -26.82 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.545 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -76.24 -44.47 37.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.75 -30.63 70.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.189 0.518 . . . . 0.0 110.428 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.56 -44.09 36.28 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -65.64 -57.91 10.28 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -47.36 -27.74 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.614 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 34.9 mt-10 -82.91 -27.2 30.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.144 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.46 -26.07 24.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.313 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.87 -16.61 31.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.324 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 19.1 ptmt -44.61 -37.7 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.22 -61.49 2.43 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.34 -54.26 18.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.649 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.89 -55.54 0.17 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.263 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.36 -68.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.0 179.801 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.14 -17.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.7 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -89.43 -66.86 0.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -47.77 -35.68 12.34 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 1.1 tmtp? -56.02 -69.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.27 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.74 -18.21 53.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.664 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -67.99 -45.27 74.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.682 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.55 -28.46 66.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 56.5 t30 -50.89 -37.61 44.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.53 -33.45 45.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.78 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.57 -52.54 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.649 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.421 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 19.3 p -59.36 -48.15 82.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.643 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 27' ' ' ASN . 5.5 mp0 -60.96 -34.29 74.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.57 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.01 -29.5 63.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.637 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 t -71.96 65.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.042 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.0 mp -75.85 -43.96 43.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 110.467 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.8 t90 -161.2 61.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.634 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -90.18 -62.93 1.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.51 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -161.11 54.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.363 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.732 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp -79.42 -8.97 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -59.95 -50.72 72.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.784 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.55 72.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.04 0.448 . . . . 0.0 110.817 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.44 58.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.703 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.15 -59.39 10.75 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -45.67 -36.82 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.76 -25.1 53.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.055 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -81.16 -22.94 38.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.153 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.38 -13.05 38.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.625 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -51.23 -34.98 34.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.412 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.49 -62.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -51.68 -55.55 18.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.903 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.87 -52.01 0.13 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.248 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' ALA . 6.5 mttt -77.6 -71.75 0.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.082 0.467 . . . . 0.0 109.998 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.44 -18.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.822 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -87.34 -71.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.553 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -39.95 -55.62 2.81 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.2 tmtt? -41.78 -69.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.93 -20.16 63.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.014 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -65.89 -44.16 86.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.728 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.53 -40.33 85.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.512 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -58.94 -34.8 72.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.19 -47.29 62.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.489 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -45.93 -39.41 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.621 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 t -60.56 -53.24 59.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -61.99 -50.18 73.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.39 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.57 -31.37 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.9 t -146.91 110.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.011 -1.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.5 mt -113.43 155.6 24.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.832 0.349 . . . . 0.0 110.534 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -81.78 13.61 3.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.1 t -92.23 4.07 54.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.699 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -97.43 -43.07 7.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.89 -22.16 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -62.02 -65.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.34 -32.83 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.097 0.475 . . . . 0.0 110.467 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.91 -44.69 60.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.732 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -54.13 -57.12 17.95 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -46.52 -35.78 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -80.59 -21.26 41.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.239 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -91.04 -24.74 19.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.298 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -92.31 -17.56 24.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.414 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 60.3 pttt -44.08 -27.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.422 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.73 -61.57 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.56 -54.4 18.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.828 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.81 -54.3 0.16 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.651 -1.158 . . . . 0.0 111.222 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.11 -67.94 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.004 0.43 . . . . 0.0 109.976 179.727 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.12 -22.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.732 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -75.01 -66.05 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.492 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.39 -28.41 59.24 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.0 tmtm? -59.3 -69.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.284 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.25 64.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.541 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.63 -42.76 71.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.539 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -42.26 70.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.514 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -58.83 -18.87 36.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.95 -37.94 64.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.619 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.4 t -56.38 -48.48 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.5 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 m -66.67 -46.73 74.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.629 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -62.11 -40.0 94.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.497 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.55 -65.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.1 t -76.47 -68.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -47.4 -60.32 5.3 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -45.93 -38.24 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -80.18 -21.73 42.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.916 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.07 -23.14 28.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.128 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.13 -12.24 36.11 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.698 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 22.7 pttm -51.52 -27.98 12.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.509 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.4 -62.54 1.8 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.327 0.584 . . . . 0.0 109.444 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -47.88 -53.6 15.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.702 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.78 -51.77 0.13 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.355 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -77.86 -70.47 0.48 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.02 0.438 . . . . 0.0 110.255 179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.58 -11.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.557 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.795 0.331 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -50.2 -57.98 9.43 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -45.96 -39.71 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -76.88 -21.85 54.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.034 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.9 -23.87 28.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.428 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.07 -18.12 27.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 17.6 pttp -50.75 -31.96 18.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.481 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.91 -62.19 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.69 -54.15 20.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.775 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.7 -51.08 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.354 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -76.92 -70.47 0.46 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.108 0.48 . . . . 0.0 110.172 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.19 -24.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.68 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.738 0.304 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -47.8 -57.81 7.38 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -46.51 -40.01 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.51 -19.95 55.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.048 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.42 -22.71 26.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.324 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.73 -16.23 28.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 11.4 ptmm? -51.04 -34.78 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.81 -62.02 2.11 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.55 -54.16 15.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.747 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.49 -55.19 0.15 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.36 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.14 -68.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.086 0.469 . . . . 0.0 110.153 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.77 -17.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.646 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.819 0.342 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.81 -61.03 7.96 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -46.94 -33.93 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -80.42 -23.14 40.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.208 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -87.93 -26.93 22.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.425 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.64 -7.58 46.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 47.2 pttt -58.07 -43.33 86.92 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.596 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -45.72 -58.41 3.48 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.532 0.682 . . . . 0.0 109.187 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -50.52 -56.79 10.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.671 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -33.03 -65.95 0.15 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -67.84 -63.07 1.13 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.975 0.417 . . . . 0.0 110.139 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.29 -27.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.81 0.338 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -53.96 -62.63 5.91 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -45.06 -37.42 4.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.074 0.464 . . . . 0.0 109.923 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -78.8 -25.28 44.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.042 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.76 -22.22 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.241 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.21 -13.16 30.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.698 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.614 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.0 pttp -53.6 -46.58 70.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.442 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.51 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -47.7 -58.71 3.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.13 -56.49 7.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.584 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -32.15 -64.66 0.16 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.975 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -72.82 -61.77 1.69 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.97 0.414 . . . . 0.0 110.191 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.42 -21.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.627 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.834 0.349 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -58.6 -61.02 7.86 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -45.58 -35.64 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -79.3 -24.26 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.142 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.33 -26.62 24.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.484 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.78 -18.27 28.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.58 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 15.3 ptmt -46.53 -33.8 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.565 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.97 -62.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.222 0.534 . . . . 0.0 109.73 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LYS . . . -53.73 -55.34 27.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.011 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.99 -39.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.288 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -91.03 -76.78 0.43 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.962 0.411 . . . . 0.0 110.383 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.15 -25.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.02 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.636 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.802 0.334 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -55.21 -57.77 16.92 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.461 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -46.27 -36.03 5.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -79.91 -22.57 42.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.162 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.71 -23.31 23.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.33 -15.21 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.489 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.4 pttt -47.23 -34.18 6.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.462 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.13 -61.53 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.79 -54.26 15.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.752 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.96 -53.64 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.394 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -75.78 -69.92 0.46 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.992 0.425 . . . . 0.0 110.178 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.4 -21.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.697 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.793 0.33 . . . . 0.0 110.745 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -60.75 -65.86 3.06 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -46.74 -32.51 3.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -81.54 -24.06 36.83 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.132 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.02 -23.94 26.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.26 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.44 -3.73 54.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.57 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 18.2 pttp -63.41 -37.13 86.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.509 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -60.42 3.33 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -51.04 -55.7 16.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.8 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.0 -55.25 0.17 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.221 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.5 mttt -75.24 -69.28 0.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.989 0.423 . . . . 0.0 110.086 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.35 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.768 0.318 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -66.78 -58.19 8.73 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -47.23 -28.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 109.832 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -81.73 -26.23 34.74 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.244 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.14 -25.97 27.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.346 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.83 -8.51 51.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.655 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.8 ptmm? -57.12 -41.12 78.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -55.18 -61.09 2.55 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.43 -55.13 14.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.704 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.06 -55.04 0.18 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.196 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.41 -69.19 0.55 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.983 0.421 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.65 -20.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.493 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.789 0.328 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -65.21 -58.53 9.39 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -45.42 -31.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -78.08 -30.19 49.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.157 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -79.59 -25.25 41.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.308 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.25 -14.08 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.448 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 19.3 pttm -45.36 -37.98 5.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.06 -60.85 2.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.395 0.617 . . . . 0.0 109.355 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -50.12 -54.89 17.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.848 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.8 -54.98 0.16 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.411 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.6 mttt -71.57 -68.01 0.48 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.135 0.493 . . . . 0.0 109.955 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.37 -19.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.732 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.573 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.692 0.282 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -54.02 -62.7 5.84 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -44.79 -36.5 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -78.26 -26.16 47.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.176 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.35 -21.39 30.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.269 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.16 -13.69 30.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.541 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.7 pttt -48.98 -30.15 5.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.459 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.59 -61.83 2.15 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.337 0.589 . . . . 0.0 109.437 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.53 -55.04 14.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.774 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.95 -53.35 0.15 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.66 -1.155 . . . . 0.0 111.228 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.4 mttt -77.29 -70.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.094 0.473 . . . . 0.0 110.188 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.9 -19.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.747 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.635 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.78 0.324 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -51.24 -61.97 5.8 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -46.1 -39.12 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -78.82 -20.81 48.81 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.082 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.05 -24.49 26.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.114 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.48 -14.91 36.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.588 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 17.6 ptmt -54.54 -38.01 66.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.486 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.38 -61.65 2.26 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.38 -55.07 11.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.162 -0.927 . . . . 0.0 109.622 178.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.05 -54.7 0.17 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.259 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -78.5 -70.43 0.49 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.968 0.413 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.81 -20.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.801 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.756 0.312 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -68.65 -63.97 3.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -45.47 -31.74 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 109.94 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.0 -26.52 36.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.167 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.76 -23.35 27.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.303 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.44 -12.08 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.806 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.9 pttt -56.91 -47.38 80.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.526 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -50.04 -59.57 3.77 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -47.49 -55.41 9.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.516 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -33.23 -67.11 0.13 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.986 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -70.37 -64.48 0.89 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.998 0.427 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.09 -27.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.812 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.848 0.356 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -62.69 -57.87 14.5 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -47.34 -32.05 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.95 -25.42 43.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.963 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -79.9 -23.34 41.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.15 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.51 -4.37 57.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.469 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 17.7 pttm -61.17 -35.25 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 -61.56 2.23 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.52 -55.16 14.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.852 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.94 -56.97 0.18 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.238 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.7 mttp -72.15 -67.53 0.53 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.045 0.45 . . . . 0.0 110.001 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.86 -21.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.801 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.574 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.776 0.322 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -50.77 -58.64 8.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -45.35 -38.48 5.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.053 0.454 . . . . 0.0 109.851 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -79.15 -22.39 45.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.206 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.99 -23.07 22.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.35 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -92.16 -19.27 22.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.6 pttt -45.48 -43.0 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.484 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -56.25 -61.75 2.18 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.46 -54.26 18.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.684 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.91 -52.8 0.14 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.213 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.5 mttt -78.63 -71.05 0.45 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 0.0 110.172 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.75 -16.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.785 0.326 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -59.36 -58.61 13.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -46.36 -36.14 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 109.81 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 64.9 mm-40 -79.02 -22.66 45.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.215 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.78 -26.89 23.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.344 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.95 -15.93 35.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.7 ptmm? -47.79 -41.63 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -55.33 -61.21 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.09 -54.48 15.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.798 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.99 -54.29 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.256 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -76.0 -68.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.42 -16.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.034 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.548 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.757 0.313 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.41 -60.88 8.17 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -45.61 -36.52 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.022 0.439 . . . . 0.0 109.825 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -78.96 -22.58 45.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.105 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.39 -24.47 25.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.439 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.96 -12.53 33.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 12.5 pttm -55.18 -38.11 67.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.41 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.93 -61.53 2.31 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.44 -55.57 12.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.579 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.28 -56.13 0.19 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.383 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.36 -70.72 0.45 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.026 0.441 . . . . 0.0 110.355 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.94 -21.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.777 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.786 0.327 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -65.64 -57.91 10.28 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -47.36 -27.74 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.614 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 34.9 mt-10 -82.91 -27.2 30.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.144 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.46 -26.07 24.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.313 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.87 -16.61 31.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.324 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 19.1 ptmt -44.61 -37.7 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.22 -61.49 2.43 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.34 -54.26 18.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.649 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.89 -55.54 0.17 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.263 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.36 -68.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.0 179.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.14 -17.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.7 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.736 0.303 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.15 -59.39 10.75 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -45.67 -36.82 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.76 -25.1 53.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.055 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -81.16 -22.94 38.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.153 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.38 -13.05 38.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.625 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -51.23 -34.98 34.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.412 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.49 -62.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -51.68 -55.55 18.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.903 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.87 -52.01 0.13 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.248 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' ALA . 6.5 mttt -77.6 -71.75 0.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.082 0.467 . . . . 0.0 109.998 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.44 -18.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.822 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -54.13 -57.12 17.95 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -46.52 -35.78 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -80.59 -21.26 41.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.239 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -91.04 -24.74 19.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.298 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -92.31 -17.56 24.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.414 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 60.3 pttt -44.08 -27.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.422 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.73 -61.57 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.56 -54.4 18.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.828 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.81 -54.3 0.16 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.651 -1.158 . . . . 0.0 111.222 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.11 -67.94 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.004 0.43 . . . . 0.0 109.976 179.727 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.12 -22.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.732 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.2 mp -67.77 -172.84 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 4' ' ' SER . 25.0 m0 54.72 -105.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.559 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.419 ' O ' ' O ' ' A' ' 3' ' ' TRP . 9.8 p 60.31 142.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.484 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.8 mttp 52.11 42.91 30.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.59 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.6 tt -88.26 -35.15 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.663 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 10.2 ptpt -68.62 -45.61 71.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.532 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 7' ' ' LYS . . . -71.46 -32.67 68.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.11 0.481 . . . . 0.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -73.48 -60.22 2.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.755 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -47.4 -60.32 5.3 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -45.93 -38.24 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -80.18 -21.73 42.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.916 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.07 -23.14 28.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.128 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.13 -12.24 36.11 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.698 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 22.7 pttm -51.52 -27.98 12.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.509 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.4 -62.54 1.8 Allowed 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.327 0.584 . . . . 0.0 109.444 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.549 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -47.88 -53.6 15.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.702 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.78 -51.77 0.13 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.355 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -77.86 -70.47 0.48 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.02 0.438 . . . . 0.0 110.255 179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.58 -11.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -78.81 -68.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.557 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.612 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -48.65 -51.93 21.56 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.8 tmtt? -41.23 -70.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 110.708 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.74 -14.2 13.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -75.63 -45.69 35.91 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.637 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.78 -26.02 68.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -57.99 -49.19 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.74 -71.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.423 HG23 ' H ' ' A' ' 29' ' ' VAL . 13.9 t -42.64 -39.45 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.6 m -64.7 -47.53 78.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.52 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -61.74 -43.0 99.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.553 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.26 -72.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.9 t -80.55 -76.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.549 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.8 mt -46.41 -59.74 2.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.317 . . . . 0.0 110.463 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -84.91 113.64 21.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.484 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -76.16 -140.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.389 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -68.85 0.15 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.405 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.9 mt -60.26 -26.11 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.684 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -54.12 -32.41 54.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.443 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.22 -32.43 70.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.197 0.522 . . . . 0.0 110.522 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.51 -54.2 15.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.712 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.543 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -50.2 -57.98 9.43 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -45.96 -39.71 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -76.88 -21.85 54.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.034 179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.9 -23.87 28.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.428 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.07 -18.12 27.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 17.6 pttp -50.75 -31.96 18.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.481 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.91 -62.19 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.69 -54.15 20.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.775 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.7 -51.08 0.12 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.354 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -76.92 -70.47 0.46 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.108 0.48 . . . . 0.0 110.172 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.19 -24.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -82.19 -66.7 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.68 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -58.4 -37.57 88.23 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -45.17 -69.47 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.867 0.365 . . . . 0.0 110.413 179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.29 -18.59 17.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.663 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -79.2 -44.76 21.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.526 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tp -78.89 -24.85 43.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.537 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.462 HD22 ' C ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -53.05 -40.71 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.683 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.33 -55.0 40.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.512 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.428 HG23 ' H ' ' A' ' 29' ' ' VAL . 16.6 t -43.22 -51.09 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.639 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.9 m -58.63 -49.31 77.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.671 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -60.3 -39.01 85.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.24 -107.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.686 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t 49.71 90.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 2' ' ' LEU . 3.9 mm? -55.67 -69.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.725 0.298 . . . . 0.0 110.221 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.8 t90 54.02 99.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.566 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.532 ' C ' ' H ' ' A' ' 6' ' ' ILE . 14.8 t -156.37 -93.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -72.65 26.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.563 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' ' 4' ' ' SER . 17.0 tt -84.03 -18.94 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.509 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -69.02 -38.56 79.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.52 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.48 -31.92 73.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.648 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.49 74.96 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -47.8 -57.81 7.38 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -46.51 -40.01 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.51 -19.95 55.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.048 179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.42 -22.71 26.4 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.324 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.73 -16.23 28.83 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 11.4 ptmm? -51.04 -34.78 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.81 -62.02 2.11 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.55 -54.16 15.48 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.747 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.49 -55.19 0.15 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.36 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.14 -68.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.086 0.469 . . . . 0.0 110.153 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.77 -17.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.911 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -75.34 -66.58 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.646 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -52.18 -38.93 49.58 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.1 tmtt? -51.79 -69.49 0.11 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.359 . . . . 0.0 110.174 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.86 -29.29 62.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.551 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -58.3 -32.19 68.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.486 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -85.03 -11.37 55.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.513 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -47.06 -18.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.573 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 26' ' ' LEU . . . -55.13 -59.78 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.494 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -46.1 -44.81 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 t -60.02 -46.8 88.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.448 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -63.29 -44.19 95.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.558 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.24 -81.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.5 t -78.71 -50.6 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.559 -1.417 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 2' ' ' LEU . 10.9 mp -84.83 -73.44 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.725 0.298 . . . . 0.0 110.538 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -43.98 95.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.723 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 2' ' ' LEU . 18.0 t -155.31 142.42 19.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.351 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.9 tttp 69.79 1.77 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.35 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.9 mt -104.15 -39.76 5.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.593 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -74.6 -65.08 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.547 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.78 -31.25 16.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.087 0.47 . . . . 0.0 110.693 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.58 -43.18 65.11 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.455 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.81 -61.03 7.96 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -46.94 -33.93 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -80.42 -23.14 40.55 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.208 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -87.93 -26.93 22.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.425 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.64 -7.58 46.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 47.2 pttt -58.07 -43.33 86.92 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.596 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -45.72 -58.41 3.48 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.532 0.682 . . . . 0.0 109.187 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -50.52 -56.79 10.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.665 -1.152 . . . . 0.0 109.671 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -33.03 -65.95 0.15 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -67.84 -63.07 1.13 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.975 0.417 . . . . 0.0 110.139 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.29 -27.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -91.47 -72.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.591 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.53 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -43.95 -52.68 6.72 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -41.36 -69.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.353 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.5 -28.31 65.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.671 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -61.86 -52.12 65.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.559 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.41 -30.29 53.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.468 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -49.97 -35.07 22.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.59 -39.49 73.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.527 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 38.6 t -56.5 -42.68 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.6 m -59.05 -40.69 85.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -73.36 -25.0 60.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.708 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -44.88 -67.96 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.8 p -42.29 148.33 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.707 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.05 -1.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -78.8 137.58 37.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 0.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -76.22 -43.65 41.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.442 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.531 ' OG ' ' N ' ' A' ' 5' ' ' LYS . 7.7 p 60.95 -139.63 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.531 ' N ' ' OG ' ' A' ' 4' ' ' SER . 48.0 mttp -103.42 60.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.478 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.0 tt -63.01 -14.02 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.544 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -62.17 -83.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -48.45 -30.82 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.18 0.514 . . . . 0.0 110.661 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.48 -44.13 35.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.667 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -53.96 -62.63 5.91 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -45.06 -37.42 4.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.074 0.464 . . . . 0.0 109.923 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -78.8 -25.28 44.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.042 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.76 -22.22 29.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.241 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.21 -13.16 30.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.698 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.614 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.0 pttp -53.6 -46.58 70.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.442 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.51 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -47.7 -58.71 3.97 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.049 -0.722 . . . . 0.0 109.049 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.13 -56.49 7.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.584 178.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -32.15 -64.66 0.16 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.673 -1.149 . . . . 0.0 110.975 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -72.82 -61.77 1.69 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.97 0.414 . . . . 0.0 110.191 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.42 -21.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -78.59 -66.29 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.627 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.491 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -43.7 -44.83 7.01 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.423 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -47.71 -69.43 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 0.0 110.236 179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.48 -22.63 55.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.473 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -69.76 -44.82 69.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.386 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.89 -36.71 75.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.452 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -52.99 -29.13 27.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.81 -35.84 24.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.413 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 82.9 t -56.39 -45.91 81.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.5 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.8 m -56.58 -46.06 80.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.5 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -58.94 -38.75 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.477 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.4 -127.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.6 t 54.53 80.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.525 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.415 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.58 53.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.769 0.318 . . . . 0.0 110.536 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -83.03 84.73 7.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.564 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.7 t -167.41 80.51 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp 46.65 70.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.7 tt -108.34 -3.72 10.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -66.68 -63.19 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.677 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.65 -31.99 17.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.135 0.493 . . . . 0.0 110.594 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.11 68.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.665 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -58.6 -61.02 7.86 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -45.58 -35.64 4.14 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -79.3 -24.26 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.142 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.553 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.33 -26.62 24.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.484 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.78 -18.27 28.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.58 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 15.3 ptmt -46.53 -33.8 4.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.565 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.97 -62.38 1.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.222 0.534 . . . . 0.0 109.73 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LYS . . . -53.73 -55.34 27.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.011 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.99 -39.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.288 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -91.03 -76.78 0.43 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.962 0.411 . . . . 0.0 110.383 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.15 -25.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.02 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -90.55 -73.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.636 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -48.49 -49.4 26.6 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.111 -0.795 . . . . 0.0 111.111 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -42.76 -69.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 110.288 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -36.61 71.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.534 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -51.1 -28.64 11.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.575 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 tp -83.98 -54.44 4.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.663 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -60.62 -46.81 88.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.638 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.06 -60.56 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.785 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.4 t -41.83 -44.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.616 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.8 t -63.72 -52.14 61.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.663 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.38 -28.38 69.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.7 -55.19 38.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.8 t -44.41 132.56 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.03 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 2' ' ' LEU . 7.4 mp -74.57 106.34 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.414 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.514 ' CE3' HD12 ' A' ' 6' ' ' ILE . 23.5 m95 -78.86 174.73 11.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.553 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.446 ' C ' ' H ' ' A' ' 6' ' ' ILE . 53.3 p -71.13 -144.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.682 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -73.38 14.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.714 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.514 HD12 ' CE3' ' A' ' 3' ' ' TRP . 85.6 mt -61.87 -9.8 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.476 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -59.83 -51.0 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.398 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.66 -31.35 72.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.149 0.5 . . . . 0.0 110.707 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 6' ' ' ILE . . . -50.72 -42.27 57.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.601 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -55.21 -57.77 16.92 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -46.27 -36.03 5.83 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -79.91 -22.57 42.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.162 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.71 -23.31 23.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.21 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.33 -15.21 27.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.489 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.4 pttt -47.23 -34.18 6.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.462 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.13 -61.53 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.79 -54.26 15.79 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.752 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.96 -53.64 0.16 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.394 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -75.78 -69.92 0.46 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.992 0.425 . . . . 0.0 110.178 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.4 -21.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.697 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -91.47 -66.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -50.85 -40.21 41.48 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 1.1 tmtm? -45.09 -68.84 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 110.173 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.89 -20.13 21.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.572 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -78.32 -39.86 38.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -69.5 -39.41 77.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -50.55 -34.36 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.413 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.2 -55.87 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.476 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -45.74 -51.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.409 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.9 m -53.19 -43.94 67.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.373 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.71 -41.02 89.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.35 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.97 -16.32 50.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.492 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.4 m -149.52 -115.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.008 -1.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' N ' ' CH2' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 2' ' ' LEU . 1.7 tt -171.03 90.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.402 ' CH2' ' N ' ' A' ' 1' ' ' GLY . 20.5 m-90 -87.55 81.69 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.488 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.3 p -68.9 -38.28 79.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 7' ' ' LYS . 10.0 pttp -155.55 -104.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.417 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.52 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 58.5 mt 57.85 -77.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.606 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' A' ' 5' ' ' LYS . 38.4 mtmt -45.57 -58.02 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.435 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.99 -30.7 65.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.126 0.489 . . . . 0.0 110.635 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 6' ' ' ILE . . . -43.68 -25.47 0.18 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.745 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -60.75 -65.86 3.06 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -46.74 -32.51 3.67 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -81.54 -24.06 36.83 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.132 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.02 -23.94 26.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.26 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.44 -3.73 54.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.57 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 18.2 pttp -63.41 -37.13 86.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.509 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.5 -60.42 3.33 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -51.04 -55.7 16.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.8 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.0 -55.25 0.17 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.221 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.5 mttt -75.24 -69.28 0.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.989 0.423 . . . . 0.0 110.086 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.35 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -89.21 -65.02 1.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.522 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.482 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -55.91 -42.42 86.29 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 3.2 tmtt? -40.62 -69.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.333 . . . . 0.0 110.466 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.66 -25.63 60.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.626 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -71.11 -42.99 68.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.667 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.66 -48.43 16.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.614 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -50.7 -30.95 15.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.573 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.02 -52.86 63.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.647 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' H ' HG23 ' A' ' 29' ' ' VAL . 23.2 t -42.93 -47.72 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.658 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' NH2 . 40.3 p -57.97 -46.99 84.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.72 -44.07 93.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.623 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.44 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.571 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.0 t -71.38 -33.26 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' SER . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.982 -1.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.556 -1.417 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 4' ' ' SER . 14.4 mt -137.67 -56.14 0.68 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.33 . . . . 0.0 110.462 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -57.17 80.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 2' ' ' LEU . 1.5 m -79.27 71.07 5.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.479 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.2 mttp 41.16 46.07 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.734 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' O ' HG22 ' A' ' 6' ' ' ILE . 93.3 mt -68.63 -15.13 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.568 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -57.77 -56.47 21.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.89 -31.7 71.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.048 0.452 . . . . 0.0 110.656 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.16 -31.16 70.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -66.78 -58.19 8.73 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -47.23 -28.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 109.832 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -81.73 -26.23 34.74 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.244 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.14 -25.97 27.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.346 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.83 -8.51 51.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.655 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.8 ptmm? -57.12 -41.12 78.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.607 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -55.18 -61.09 2.55 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.43 -55.13 14.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.704 179.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.06 -55.04 0.18 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.196 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.41 -69.19 0.55 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.983 0.421 . . . . 0.0 110.293 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.65 -20.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -73.72 -66.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.493 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.58 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -60.13 -44.8 96.99 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -40.08 -70.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.69 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.41 -19.21 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -76.05 -50.21 15.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.756 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.85 -37.49 76.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.684 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -51.12 -33.37 26.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.633 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.81 76.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.584 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.6 t -46.43 -45.6 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.651 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.3 t -58.9 -50.59 73.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.45 -40.84 88.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.601 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.88 -33.9 11.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.52 -33.99 62.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.614 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.999 -1.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.6 mt -75.42 33.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.457 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.479 ' O ' HG22 ' A' ' 6' ' ' ILE . 48.4 t90 -96.47 0.24 50.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.427 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 6' ' ' ILE . 81.7 p -89.82 -34.69 16.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -74.26 19.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.321 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.488 ' H ' ' C ' ' A' ' 4' ' ' SER . 16.7 tt -98.01 6.54 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.443 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -58.05 -64.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.5 -31.79 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.063 0.458 . . . . 0.0 110.703 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 6' ' ' ILE . . . -61.83 -27.99 69.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.679 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -65.21 -58.53 9.39 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -45.42 -31.86 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -78.08 -30.19 49.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.157 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -79.59 -25.25 41.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.308 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.25 -14.08 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.448 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 19.3 pttm -45.36 -37.98 5.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.396 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.06 -60.85 2.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.395 0.617 . . . . 0.0 109.355 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -50.12 -54.89 17.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.848 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.8 -54.98 0.16 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.603 -1.181 . . . . 0.0 111.411 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.6 mttt -71.57 -68.01 0.48 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.135 0.493 . . . . 0.0 109.955 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.37 -19.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.732 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -79.14 -66.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.573 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -43.8 -33.29 2.46 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 5.0 tmtt? -61.83 -67.97 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.85 0.357 . . . . 0.0 110.362 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -6.96 22.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.796 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.11 -44.52 72.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.562 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.39 -27.44 63.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -55.24 -23.53 23.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.33 -59.51 5.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.634 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 73.9 t -45.28 -43.8 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.397 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.5 t -61.46 -51.51 68.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.598 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.1 tp10 -55.73 -36.08 66.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.42 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 29' ' ' VAL . . . -46.42 -68.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.411 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.6 t -91.77 157.6 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.015 -1.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.6 mt -90.09 -61.3 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.438 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -86.25 54.95 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.322 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 t -126.82 81.55 2.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.731 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp 48.04 61.06 3.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 7' ' ' LYS . 20.0 tt -83.6 -38.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.562 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' N ' HG23 ' A' ' 6' ' ' ILE . 79.0 mttt -63.75 -36.87 85.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.51 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.05 -31.52 72.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.155 0.502 . . . . 0.0 110.624 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.06 72.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.584 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -54.02 -62.7 5.84 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -44.79 -36.5 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -78.26 -26.16 47.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.176 179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -84.35 -21.39 30.94 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.269 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.16 -13.69 30.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.541 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.7 pttt -48.98 -30.15 5.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.459 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.59 -61.83 2.15 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.337 0.589 . . . . 0.0 109.437 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.53 -55.04 14.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.774 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.95 -53.35 0.15 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.66 -1.155 . . . . 0.0 111.228 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.4 mttt -77.29 -70.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.094 0.473 . . . . 0.0 110.188 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.9 -19.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.747 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -87.07 -66.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.635 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -51.86 -39.32 47.6 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.7 tmtt? -47.29 -69.03 0.14 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.83 0.347 . . . . 0.0 110.345 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.94 -23.46 53.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.601 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -70.27 -38.06 75.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.486 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tp -57.95 -28.67 64.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.466 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -53.78 -43.18 69.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.98 -52.92 59.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.446 HG23 ' H ' ' A' ' 29' ' ' VAL . 13.9 t -45.43 -51.99 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.616 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.2 m -60.2 -46.83 88.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.588 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -60.42 -36.83 79.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.01 -51.66 60.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.65 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.9 t -51.7 -61.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.611 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.5 mp -80.3 150.35 29.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.512 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.0 t90 44.72 52.83 7.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.634 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 5' ' ' LYS . 9.3 t -78.48 94.71 4.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.513 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 4' ' ' SER . 17.9 pttm 31.27 62.31 0.24 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.087 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.0 tt -50.55 -19.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.635 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -50.76 -56.57 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.607 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.87 -31.41 72.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 0.0 110.593 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -60.55 -37.94 82.88 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.574 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.547 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -51.24 -61.97 5.8 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -46.1 -39.12 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -78.82 -20.81 48.81 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.082 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.05 -24.49 26.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.114 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.48 -14.91 36.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.588 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 17.6 ptmt -54.54 -38.01 66.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.486 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.38 -61.65 2.26 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -48.38 -55.07 11.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.162 -0.927 . . . . 0.0 109.622 178.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.05 -54.7 0.17 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.259 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -78.5 -70.43 0.49 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.968 0.413 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.81 -20.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.801 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -85.26 -67.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -54.66 -45.21 78.88 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.6 tmtm? -42.55 -70.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.726 0.298 . . . . 0.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.8 -21.62 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.787 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -72.21 -57.39 4.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.534 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.95 -10.17 59.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -60.71 -40.06 90.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.605 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.2 -41.91 63.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.49 -45.94 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.423 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 t -58.54 -42.53 88.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.349 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -66.48 -45.33 80.02 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.325 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.86 -68.7 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.4 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.6 t -105.31 142.63 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.52 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.983 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.2 mp -60.34 76.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 110.436 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.506 ' N ' ' O ' ' A' ' 1' ' ' GLY . 24.3 t90 -163.99 -43.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.548 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.9 t -87.4 28.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.477 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -165.12 40.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.578 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 tt -125.71 -17.84 3.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.672 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -54.98 -41.9 71.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.651 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.09 -70.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.287 0.565 . . . . 0.0 110.655 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -7.43 2.46 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.678 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.564 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -68.65 -63.97 3.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -45.47 -31.74 1.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 109.94 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.0 -26.52 36.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.167 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -85.76 -23.35 27.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.303 179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.44 -12.08 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.806 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.9 pttt -56.91 -47.38 80.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.526 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -50.04 -59.57 3.77 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -47.49 -55.41 9.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.516 178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.63 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -33.23 -67.11 0.13 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.986 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -70.37 -64.48 0.89 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.998 0.427 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.09 -27.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.812 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -91.43 -67.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -42.69 -46.62 5.9 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.0 tmtt? -48.0 -69.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.335 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -30.81 70.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.723 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -52.05 -40.05 60.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.581 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.8 -32.12 65.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.582 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.507 HD22 ' C ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -53.5 -41.06 65.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.628 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.6 -50.94 16.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -48.2 -35.25 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.653 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -62.38 -45.9 91.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.631 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -60.45 -43.82 96.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.703 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.06 -86.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.657 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.92 -25.39 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.55 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.983 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.7 mt -88.57 75.72 8.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.786 0.327 . . . . 0.0 110.634 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -90.04 23.15 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.3 p -89.91 -28.04 19.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -144.61 79.53 1.61 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.742 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 tt -134.27 0.02 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -58.29 -37.16 74.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.44 -31.86 73.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.092 0.472 . . . . 0.0 110.593 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.01 77.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.532 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -62.69 -57.87 14.5 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -47.34 -32.05 4.46 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -78.95 -25.42 43.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.963 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -79.9 -23.34 41.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.15 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.51 -4.37 57.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.469 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 17.7 pttm -61.17 -35.25 76.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.68 -61.56 2.23 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.52 -55.16 14.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.852 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.94 -56.97 0.18 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.238 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' ALA . 1.7 mttp -72.15 -67.53 0.53 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.045 0.45 . . . . 0.0 110.001 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.86 -21.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.801 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -77.28 -67.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.574 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -62.68 -36.49 93.36 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.7 tmtm? -47.27 -70.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.169 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.84 -31.94 51.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -60.78 -21.96 63.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.523 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.66 -43.68 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.513 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.476 HD22 ' C ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -57.79 -34.31 69.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.495 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.14 -56.35 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.56 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.9 t -44.88 -42.94 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 t -59.91 -52.27 66.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -61.27 -43.42 98.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.551 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.2 -59.15 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.1 t -71.28 -101.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.507 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.392 0 O-C-N 119.96 -1.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' C ' ' N ' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.0 mt 50.05 17.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.574 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.41 ' N ' ' C ' ' A' ' 1' ' ' GLY . 5.3 m-90 44.39 65.73 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.605 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.3 p -90.11 53.24 2.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.54 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 45.02 48.7 9.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.461 ' O ' HG22 ' A' ' 6' ' ' ILE . 66.6 mt -73.55 -9.56 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -56.61 -33.88 66.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.757 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.35 -32.79 71.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.124 0.487 . . . . 0.0 110.662 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.57 -39.94 61.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.704 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.545 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -50.77 -58.64 8.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -45.35 -38.48 5.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.053 0.454 . . . . 0.0 109.851 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -79.15 -22.39 45.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.206 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -88.99 -23.07 22.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.35 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -92.16 -19.27 22.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 46.6 pttt -45.48 -43.0 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.484 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -56.25 -61.75 2.18 Favored 'General case' 0 CA--C 1.517 -0.29 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.46 -54.26 18.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.684 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.91 -52.8 0.14 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.213 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 21' ' ' ALA . 2.5 mttt -78.63 -71.05 0.45 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.104 0.478 . . . . 0.0 110.172 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.75 -16.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -76.01 -66.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.532 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.561 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -43.94 -53.78 6.27 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -40.91 -69.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.836 0.35 . . . . 0.0 110.623 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.43 -19.31 55.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -70.78 -62.5 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 110.629 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.93 -37.04 78.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.523 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -57.95 -42.17 84.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.607 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.56 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 29' ' ' VAL . 13.8 t -43.2 -44.92 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.523 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 p -62.35 -47.85 82.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.574 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -61.15 -47.87 84.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.49 -80.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.3 t -87.13 -69.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.601 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' CE3' ' A' ' 3' ' ' TRP . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 24.7 mt -81.24 -13.67 58.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 0.0 110.477 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.502 ' CE3' ' O ' ' A' ' 1' ' ' GLY . 6.9 m-90 48.95 73.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.59 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 6' ' ' ILE . 17.3 t -149.62 -59.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.574 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -80.06 24.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.476 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.403 ' H ' ' C ' ' A' ' 4' ' ' SER . 2.2 pp -70.57 -7.81 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -79.98 -82.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.521 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -40.86 -30.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 0.0 110.69 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.67 -45.39 19.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.503 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -59.36 -58.61 13.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -46.36 -36.14 6.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.043 0.449 . . . . 0.0 109.81 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 64.9 mm-40 -79.02 -22.66 45.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.215 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.78 -26.89 23.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.344 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.95 -15.93 35.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 10.7 ptmm? -47.79 -41.63 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.575 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' LYS . . . -55.33 -61.21 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.09 -54.48 15.86 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.798 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.99 -54.29 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.256 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -76.0 -68.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.969 0.414 . . . . 0.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.42 -16.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.034 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -73.65 -65.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.548 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -59.23 -33.85 77.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -47.42 -68.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.929 0.395 . . . . 0.0 110.234 179.827 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.02 -14.26 3.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.77 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -84.06 -17.31 40.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.66 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.0 -23.81 19.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.682 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -54.83 -44.3 73.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.613 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -62.64 1.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -40.88 -34.58 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.739 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -63.47 -55.69 22.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.635 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.47 -32.71 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.8 -65.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.598 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.2 114.03 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.618 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.048 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 2' ' ' LEU . 6.3 mp -85.98 152.75 22.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.815 0.341 . . . . 0.0 110.564 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.1 t-105 -98.18 10.28 40.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.38 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.492 ' C ' ' H ' ' A' ' 6' ' ' ILE . 83.8 p -91.25 -25.95 19.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.778 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.69 7.25 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 4' ' ' SER . 18.4 tt -52.76 -24.58 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -61.17 -43.25 99.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.703 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.22 -30.9 70.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.145 0.497 . . . . 0.0 110.621 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.82 -23.24 60.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.809 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.41 -60.88 8.17 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -45.61 -36.52 4.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.022 0.439 . . . . 0.0 109.825 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -78.96 -22.58 45.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.105 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.39 -24.47 25.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.439 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.96 -12.53 33.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 12.5 pttm -55.18 -38.11 67.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.41 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.93 -61.53 2.31 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.44 -55.57 12.68 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.579 179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -30.28 -56.13 0.19 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.383 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.36 -70.72 0.45 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.026 0.441 . . . . 0.0 110.355 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.94 -21.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.777 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -83.23 -66.55 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -46.14 -35.87 6.85 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.8 tmtt? -57.81 -68.76 0.21 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.897 0.38 . . . . 0.0 110.413 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.31 -8.15 16.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.921 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -73.36 -63.88 1.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.582 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -41.6 49.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.71 -43.46 97.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.535 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.08 90.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.2 t -43.4 -51.49 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.666 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.9 p -55.91 -46.65 78.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.588 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -62.81 -50.21 71.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.416 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.54 -52.65 45.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.2 t -107.75 59.44 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.535 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 119.95 -1.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.594 HD12 ' N ' ' A' ' 2' ' ' LEU . 10.0 mp -74.4 -98.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.729 0.3 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -48.41 114.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.284 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 t 173.83 -27.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -123.14 1.42 9.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.98 -26.82 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.545 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -76.24 -44.47 37.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.57 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.75 -30.63 70.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.189 0.518 . . . . 0.0 110.428 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.56 -44.09 36.28 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.608 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -65.64 -57.91 10.28 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -47.36 -27.74 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.614 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 15' ' ' LYS . 34.9 mt-10 -82.91 -27.2 30.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.144 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -86.46 -26.07 24.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.313 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.87 -16.61 31.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.324 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 19.1 ptmt -44.61 -37.7 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.22 -61.49 2.43 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -49.34 -54.26 18.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.649 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.89 -55.54 0.17 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.557 -1.201 . . . . 0.0 111.263 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -73.36 -68.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.038 0.447 . . . . 0.0 110.0 179.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.14 -17.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.7 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . -89.43 -66.86 0.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.504 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -47.77 -35.68 12.34 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 1.1 tmtp? -56.02 -69.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 0.0 110.27 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.74 -18.21 53.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.664 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -67.99 -45.27 74.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.682 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 tp -68.55 -28.46 66.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.695 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' O ' ' OE1' ' A' ' 31' ' ' GLU . 56.5 t30 -50.89 -37.61 44.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.53 -33.45 45.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.78 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.57 -52.54 32.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.649 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.421 ' OG ' ' OE1' ' A' ' 31' ' ' GLU . 19.3 p -59.36 -48.15 82.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.643 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' A' ' 27' ' ' ASN . 5.5 mp0 -60.96 -34.29 74.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.57 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.01 -29.5 63.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.637 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 t -71.96 65.53 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.586 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.042 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.0 mp -75.85 -43.96 43.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 110.467 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 46.8 t90 -161.2 61.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.634 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -90.18 -62.93 1.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.51 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -161.11 54.1 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.363 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.732 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.7 mp -79.42 -8.97 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.516 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -59.95 -50.72 72.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.784 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.55 72.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.04 0.448 . . . . 0.0 110.817 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.44 58.42 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.703 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.56 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -56.15 -59.39 10.75 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -45.67 -36.82 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -76.76 -25.1 53.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.055 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -81.16 -22.94 38.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.153 179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.38 -13.05 38.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.625 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -51.23 -34.98 34.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.412 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.49 -62.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ALA . . . -51.68 -55.55 18.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.903 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 17' ' ' ALA . . . -29.87 -52.01 0.13 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.248 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' ALA . 6.5 mttt -77.6 -71.75 0.4 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.082 0.467 . . . . 0.0 109.998 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -42.44 -18.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.822 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -87.34 -71.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.685 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.553 ' O ' ' HB3' ' A' ' 25' ' ' ALA . . . -39.95 -55.62 2.81 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 4.2 tmtt? -41.78 -69.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.93 -20.16 63.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.014 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -65.89 -44.16 86.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.728 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.53 -40.33 85.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.512 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -58.94 -34.8 72.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.19 -47.29 62.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.489 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -45.93 -39.41 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.621 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 t -60.56 -53.24 59.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -61.99 -50.18 73.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.39 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.57 -31.37 4.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.9 t -146.91 110.48 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.011 -1.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.484 -1.447 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 16.5 mt -113.43 155.6 24.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.832 0.349 . . . . 0.0 110.534 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -81.78 13.61 3.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.1 t -92.23 4.07 54.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.699 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -97.43 -43.07 7.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.89 -22.16 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -62.02 -65.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.34 -32.83 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.097 0.475 . . . . 0.0 110.467 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.91 -44.69 60.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.732 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' ALA . . . -54.13 -57.12 17.95 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -46.52 -35.78 6.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.031 0.443 . . . . 0.0 109.976 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -80.59 -21.26 41.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.239 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -91.04 -24.74 19.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.298 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 10' ' ' GLY . . . -92.31 -17.56 24.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.414 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 60.3 pttt -44.08 -27.78 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.422 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.73 -61.57 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' ALA . . . -49.56 -54.4 18.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.828 179.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 15' ' ' LYS . . . -29.81 -54.3 0.16 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.651 -1.158 . . . . 0.0 111.222 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -74.11 -67.94 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.004 0.43 . . . . 0.0 109.976 179.727 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.12 -22.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.732 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -75.01 -66.05 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.492 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -57.39 -28.41 59.24 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' A' ' 23' ' ' LYS . 2.0 tmtm? -59.3 -69.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 110.284 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.25 64.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.541 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.63 -42.76 71.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.539 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -42.26 70.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.514 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.83 -18.87 36.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.95 -37.94 64.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.619 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.4 t -56.38 -48.48 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.5 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.2 m -66.67 -46.73 74.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.629 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -62.11 -40.0 94.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.497 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.55 -65.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.1 t -76.47 -68.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.082 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_