data_2kbc_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 2kbc _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 ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -102.56 103.94 14.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.906 0.384 . . . . 0.0 110.829 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.9 mm? -113.6 133.72 55.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.55 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 m -114.68 114.5 25.73 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.45 -105.16 0.26 Allowed Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.694 -0.685 . . . . 0.0 114.239 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.17 -42.22 65.98 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 122.611 0.365 . . . . 0.0 111.564 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.47 -39.25 92.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.143 0.497 . . . . 0.0 110.36 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.403 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 83.3 t80 -69.92 -54.49 13.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.228 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.463 ' O ' HG12 ' B' ' 16' ' ' ILE . 68.1 mt -53.24 -46.38 56.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.165 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -59.24 -43.75 92.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.412 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.2 m -68.8 -39.43 80.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.111 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.37 -53.21 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.415 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.463 HG12 ' O ' ' B' ' 12' ' ' ILE . 37.9 pt -60.41 -31.46 48.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.53 0.205 . . . . 0.0 111.221 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -64.08 -49.5 72.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.086 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -67.31 -45.35 86.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.519 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -58.3 -41.76 85.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.27 -48.02 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.723 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -56.63 -36.72 69.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.286 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.0 m -72.87 -19.31 61.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.343 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -17.97 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.6 m95 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.254 179.679 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.136 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -55.53 -45.87 77.13 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.73 0.412 . . . . 0.0 111.756 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -76.2 -39.81 53.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.39 0.614 . . . . 0.0 109.955 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.5 m -61.84 -52.88 62.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.118 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.83 -9.57 58.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.237 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -68.6 -20.35 64.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.051 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.0 t -92.56 13.3 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.648 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -138.17 -68.99 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.966 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -77.04 -62.03 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.456 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.48 152.49 9.3 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 m -116.67 140.08 49.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.889 0.376 . . . . 0.0 110.212 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -89.68 163.84 14.96 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.3 ttm -57.6 -42.44 83.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.492 . . . . 0.0 111.019 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.39 -42.45 91.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.225 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -37.37 82.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.154 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 13' ' ' SER . 7.6 mt -70.64 -36.66 73.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.102 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -64.52 -29.85 70.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.023 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -22.67 62.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.238 0.542 . . . . 0.0 109.762 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 tp -88.07 -17.24 31.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.406 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.4 m . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.754 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.406 ' HB ' ' CD2' ' B' ' 6' ' ' LEU . 2.7 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 8.6 mpt_? -94.47 88.42 5.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.009 0.433 . . . . 0.0 111.972 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.444 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 1.3 mm? -107.79 105.82 15.83 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 m -100.32 119.49 38.5 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.23 -106.16 0.69 Allowed Glycine 0 C--N 1.334 0.438 0 CA-C-N 115.595 -0.729 . . . . 0.0 114.126 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.32 -41.03 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.531 0.332 . . . . 0.0 111.439 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.49 -40.3 95.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 4' ' ' GLN . 55.4 t80 -67.25 -54.18 23.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.0 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.448 ' O ' HG12 ' B' ' 16' ' ' ILE . 66.6 mt -54.61 -48.55 71.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.339 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.8 ttm105 -58.12 -43.62 87.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.633 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -69.88 -40.98 75.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.323 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.04 -50.8 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.523 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.448 HG12 ' O ' ' B' ' 12' ' ' ILE . 37.5 pt -62.51 -31.86 53.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.0 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -65.21 -50.64 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.216 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.1 mt -64.78 -47.46 88.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.5 m -57.82 -41.97 83.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.05 -49.09 60.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -56.09 -36.98 68.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.701 0.286 . . . . 0.0 111.461 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.4 m -72.61 -19.23 61.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.57 -18.17 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.536 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.8 m95 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.239 179.67 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.223 -0.32 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.94 -42.84 80.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.304 . . . . 0.0 111.693 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.565 ' HG2' ' CE2' ' B' ' 11' ' ' TYR . 5.3 mt-30 -76.75 -43.56 36.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.496 0.665 . . . . 0.0 109.708 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.4 m -60.74 -49.44 77.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.976 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.433 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 11.1 tp -66.59 -20.05 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.181 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 47.7 t -67.24 -17.9 65.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.1 0.476 . . . . 0.0 110.152 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -90.9 -19.9 22.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.981 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 3.5 p -102.12 -74.57 0.62 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.199 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.433 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 29.6 t70 -79.73 -26.4 40.82 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 109.951 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 91.87 143.4 11.95 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.079 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.36 133.77 47.87 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.598 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -87.28 158.89 18.97 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.576 -178.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.5 ttp -63.16 -36.23 82.93 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -57.29 -47.07 82.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.961 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.81 -44.37 94.02 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.999 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 13' ' ' SER . 12.8 mt -64.69 -37.73 88.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -63.11 -35.83 81.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.214 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.37 -24.48 64.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.268 0.556 . . . . 0.0 110.042 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -86.02 -22.27 27.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.633 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.69 -179.683 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.55 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 25.1 mtt180 -99.07 101.4 12.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.232 0.539 . . . . 0.0 111.423 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.412 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.7 mm? -108.47 116.59 32.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.306 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.7 m -102.03 114.87 29.37 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.49 -102.02 0.1 OUTLIER Glycine 0 C--N 1.336 0.537 0 CA-C-N 115.692 -0.685 . . . . 0.0 114.257 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.19 -41.21 65.03 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.524 0.33 . . . . 0.0 111.475 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.98 -40.17 96.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.132 0.491 . . . . 0.0 110.278 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.532 ' CE2' ' HG2' ' A' ' 4' ' ' GLN . 61.6 t80 -68.33 -55.64 11.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.881 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -52.18 -45.34 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.249 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -60.74 -40.52 92.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.173 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -70.21 -39.92 74.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.67 -53.34 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 25.1 pt -61.07 -31.19 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.7 0.286 . . . . 0.0 110.899 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -67.55 -50.32 59.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.058 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.91 -43.81 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.34 -22.45 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.45 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.579 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -92.62 -46.78 7.43 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.153 -0.219 . . . . 0.0 110.594 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.5 m -53.99 -28.95 41.03 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -17.31 64.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 11.2 ptp180 -110.91 0.47 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.985 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 15.6 m95 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.431 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.226 -0.169 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.1 tp -58.26 -54.22 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.792 0.269 . . . . 0.0 111.103 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.532 ' HG2' ' CE2' ' B' ' 11' ' ' TYR . 3.2 mt-30 -63.59 -38.96 93.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.411 0.624 . . . . 0.0 109.855 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -63.82 -54.77 29.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.553 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.73 -23.94 66.47 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.066 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 50.6 m -58.47 -26.02 62.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 109.927 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 t -99.14 -39.86 8.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.643 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -62.28 -47.23 85.26 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.571 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.55 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 8.3 t0 -130.4 -44.69 1.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.32 158.69 9.25 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.415 -0.898 . . . . 0.0 113.227 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 m -136.48 152.32 50.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.89 163.18 14.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.072 0.463 . . . . 0.0 111.563 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.1 ttm -65.71 -42.72 90.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.379 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -59.71 -42.4 92.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.847 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.54 -45.89 84.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.256 0.551 . . . . 0.0 109.787 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.15 -35.35 79.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.429 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -64.84 -35.73 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.184 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -26.02 66.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.15 0.5 . . . . 0.0 110.04 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -82.18 -24.84 34.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.41 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.757 -179.81 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.573 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 36.6 mtt180 -105.66 96.37 6.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.202 0.525 . . . . 0.0 111.848 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.404 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.7 mm? -109.14 123.76 49.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.978 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 16.2 m -104.68 117.21 33.53 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.12 -101.16 0.05 OUTLIER Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.469 -0.787 . . . . 0.0 114.248 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 51.0 tp -50.74 -41.31 56.28 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.714 0.406 . . . . 0.0 111.292 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.8 -38.44 79.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.491 ' O ' HG21 ' B' ' 15' ' ' VAL . 60.0 t80 -65.25 -50.37 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.3 -43.77 86.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.274 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' B' ' 9' ' ' LEU . 0.0 OUTLIER -60.11 -39.64 86.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.913 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.9 m -69.87 -42.5 73.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.491 HG21 ' O ' ' B' ' 11' ' ' TYR . 95.6 t -61.27 -52.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.155 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.48 -31.22 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.617 0.246 . . . . 0.0 111.014 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.25 -46.91 69.19 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.94 -44.9 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.215 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 m -59.3 -37.86 78.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.778 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.26 70.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.196 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.0 m -60.52 -38.35 84.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -68.86 -18.43 64.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.239 0.542 . . . . 0.0 110.517 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -90.91 -37.6 13.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.626 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 42.8 m95 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.148 -179.306 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -50.05 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.012 0.434 . . . . 0.0 110.816 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.435 HE21 ' HB3' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -68.41 -44.48 74.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.994 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.5 m -59.65 -56.65 19.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.866 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.38 -22.33 66.82 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.823 -0.171 . . . . 0.0 111.426 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.545 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 49.4 t -63.58 -23.41 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 t -97.23 -39.84 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.292 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -46.42 84.76 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.177 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.573 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 10.5 t0 -127.77 -50.22 1.36 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.411 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.14 158.07 7.5 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.183 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.8 p -136.78 140.97 42.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.07 159.19 16.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.309 0.576 . . . . 0.0 112.358 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.5 ttt -63.61 -44.97 92.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.2 p -58.07 -43.45 86.95 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.231 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.77 -44.08 85.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.344 0.593 . . . . 0.0 109.759 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.43 -33.86 71.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.69 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.3 m -64.99 -26.01 68.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.741 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.31 -27.56 68.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.097 0.475 . . . . 0.0 110.318 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mt -88.35 -18.8 27.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.613 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 m . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.951 -179.325 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 5.0 mpt_? -101.9 106.76 17.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.94 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 10.9 mt -119.87 125.38 48.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.552 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 50.5 m -99.51 113.78 26.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.431 ' O ' HG12 ' B' ' 12' ' ' ILE . . . 49.1 -100.97 0.04 OUTLIER Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.544 -0.753 . . . . 0.0 114.537 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 95.2 mt -52.89 -40.74 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.505 0.322 . . . . 0.0 111.756 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.94 -38.54 91.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.269 0.556 . . . . 0.0 110.018 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -68.73 -48.76 62.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.094 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.437 ' O ' HG12 ' B' ' 16' ' ' ILE . 30.5 mm -56.22 -47.03 81.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -44.59 95.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.57 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -66.49 -42.03 88.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.384 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 70.2 t -62.79 -55.47 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.266 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.437 HG12 ' O ' ' B' ' 12' ' ' ILE . 29.1 pt -60.08 -30.49 45.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.5 0.191 . . . . 0.0 111.473 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.95 -51.21 60.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.308 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 72.6 mt -67.03 -44.61 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.7 m -61.95 -24.76 67.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.271 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -89.73 -54.02 4.25 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.947 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -52.8 -27.42 18.01 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -18.38 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 7.6 ptp180 -119.28 0.83 11.24 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.187 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.6 m95 . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 110.212 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.225 -0.215 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.2 tp -56.92 -39.85 75.23 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.58 -36.43 22.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 110.062 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -66.05 -48.84 69.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.882 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.573 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 20.4 tp -69.54 -8.24 45.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.989 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -69.14 -22.58 63.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.993 0.425 . . . . 0.0 110.043 179.278 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.8 m -94.03 -30.54 14.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.95 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.573 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -77.92 -55.6 5.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.152 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -105.44 -60.3 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.146 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.64 175.16 13.85 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.628 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -131.82 139.45 48.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.885 0.374 . . . . 0.0 110.811 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.568 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -92.98 161.62 14.38 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.151 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.0 ttt -56.8 -38.46 72.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.329 0.585 . . . . 0.0 110.755 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.74 -46.39 89.3 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.37 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -41.24 85.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.627 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 13' ' ' SER . 0.7 OUTLIER -72.32 -41.11 66.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.294 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.8 m -62.26 -21.03 64.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.765 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.35 -24.7 65.74 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.981 0.42 . . . . 0.0 110.07 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.64 -5.37 53.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.454 0.645 . . . . 0.0 109.597 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.269 -179.132 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.151 0.5 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 20.7 mmt180 -80.36 75.86 7.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.575 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 mt -90.33 102.45 15.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.505 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -98.88 115.33 28.61 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.649 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.496 ' HA2' ' OE1' ' A' ' 4' ' ' GLN . . . 56.31 -107.39 0.86 Allowed Glycine 0 C--N 1.33 0.224 0 CA-C-N 115.6 -0.727 . . . . 0.0 114.108 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 17.5 tp -53.4 -37.84 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.527 0.331 . . . . 0.0 111.659 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -62.79 -42.14 99.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.107 0.48 . . . . 0.0 110.212 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.42 ' HH ' HD22 ' A' ' 3' ' ' LEU . 86.2 t80 -68.52 -52.61 30.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.996 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -53.76 -48.46 61.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.384 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -60.04 -44.12 94.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.842 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -70.99 -37.46 72.71 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.199 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.65 -53.52 45.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.484 0.183 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 20.1 pt -61.32 -31.79 51.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.624 0.25 . . . . 0.0 110.745 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -67.66 -49.65 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.207 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.64 -47.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.631 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.3 m -58.9 -40.88 85.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.027 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.88 63.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.697 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -56.33 -37.7 70.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.323 . . . . 0.0 111.355 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.2 m -72.52 -18.81 61.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.353 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -18.57 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.716 0.293 . . . . 0.0 110.562 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.7 m95 . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.899 0.381 . . . . 0.0 110.279 179.742 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.384 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.42 HD22 ' HH ' ' B' ' 11' ' ' TYR . 1.4 tt -56.86 -51.9 67.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.493 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.496 ' OE1' ' HA2' ' B' ' 8' ' ' GLY . 0.1 OUTLIER -62.74 -40.92 98.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.422 0.63 . . . . 0.0 110.172 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -65.67 -51.44 59.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.72 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.04 -18.56 63.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.609 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 18.3 m -64.62 -18.29 64.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.248 0.547 . . . . 0.0 110.079 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -103.56 -36.85 7.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.345 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -48.75 58.83 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.763 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -114.78 -44.53 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.134 0.492 . . . . 0.0 110.852 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.95 141.22 8.63 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.182 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 p -122.44 161.65 23.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.72 0.295 . . . . 0.0 110.508 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.5 p -107.18 176.28 5.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.7 ttt -59.15 -34.36 72.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.21 0.529 . . . . 0.0 110.253 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -50.06 74.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.354 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.84 -42.11 92.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.372 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.33 -41.91 88.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.009 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.8 m -65.78 -20.88 66.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.71 -23.85 66.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.93 0.395 . . . . 0.0 110.585 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -93.04 -10.06 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.344 0.592 . . . . 0.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.668 -179.683 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' CYS . 18.8 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.577 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 3.6 mpt_? -93.62 89.03 6.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.14 0.495 . . . . 0.0 111.572 -178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.9 mt -108.66 102.09 11.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.657 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.3 m -86.86 112.91 22.21 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.56 -101.8 0.06 OUTLIER Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.497 -0.774 . . . . 0.0 114.34 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.567 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 45.8 tp -47.61 -45.1 27.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.015 0.526 . . . . 0.0 111.905 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.444 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.6 mm-40 -59.98 -40.36 88.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.759 0.314 . . . . 0.0 111.375 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.425 ' O ' HG23 ' B' ' 15' ' ' VAL . 60.7 t80 -70.03 -45.0 68.11 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.415 ' O ' HG12 ' B' ' 16' ' ' ILE . 68.4 mt -57.34 -47.67 84.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.866 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 41.9 mtm105 -60.16 -39.06 85.06 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -69.79 -41.45 75.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.6 t -64.12 -54.71 28.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 12' ' ' ILE . 29.5 pt -59.91 -31.67 48.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.785 -0.189 . . . . 0.0 111.421 -178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -64.68 -54.89 24.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.444 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . 0.478 HD13 ' CD1' ' A' ' 17' ' ' LEU . 18.4 mt -67.76 -40.97 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -57.07 -43.91 82.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.706 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.87 65.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.962 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 44.3 m -58.25 -38.91 77.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.636 0.255 . . . . 0.0 111.335 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -73.67 -14.13 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.405 0.621 . . . . 0.0 110.459 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -92.36 -37.86 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.335 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 56.0 m95 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.351 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.105 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.83 -51.83 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.992 0.182 . . . . 0.0 111.306 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -62.6 -42.8 99.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.396 0.617 . . . . 0.0 109.553 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -59.03 -43.56 91.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.78 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.56 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 1.4 tp -74.97 -22.44 58.55 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.51 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.577 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 46.3 m -63.96 -28.32 69.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.998 0.428 . . . . 0.0 110.52 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.2 m -86.66 -22.03 26.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.459 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.56 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -100.43 -74.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.66 -44.14 82.66 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.401 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.84 101.82 1.22 Allowed Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' O ' HG23 ' B' ' 4' ' ' VAL . 1.7 p -70.42 155.72 40.31 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.398 0.618 . . . . 0.0 111.927 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -105.99 162.51 13.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.986 -1.007 . . . . 0.0 108.958 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.407 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 48.5 ttp -57.53 -35.63 70.54 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -44.47 96.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.104 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.78 -49.8 75.4 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.626 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' CD1' HD13 ' B' ' 18' ' ' ILE . 0.6 OUTLIER -72.33 -25.46 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.392 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 m -67.99 -32.13 72.31 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.17 -23.03 62.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.339 0.59 . . . . 0.0 109.676 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 tp -85.22 -21.19 29.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.326 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.556 179.808 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 8.2 mpt_? -101.56 87.69 3.24 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.44 ' HB3' ' CA ' ' B' ' 11' ' ' TYR . 1.7 mm? -107.77 103.33 12.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 m -101.28 117.29 34.68 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.26 -106.41 0.73 Allowed Glycine 0 C--N 1.333 0.415 0 CA-C-N 115.597 -0.729 . . . . 0.0 114.021 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.56 -41.01 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.498 0.319 . . . . 0.0 111.569 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -63.9 -38.22 90.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.113 0.482 . . . . 0.0 110.393 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.44 ' CA ' ' HB3' ' B' ' 6' ' ' LEU . 86.5 t80 -70.83 -54.23 12.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.014 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.474 ' O ' HG12 ' B' ' 16' ' ' ILE . 66.9 mt -53.36 -47.01 58.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.279 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -59.15 -46.55 88.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.449 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 21.8 m -67.52 -39.79 85.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.401 HG22 ' O ' ' B' ' 11' ' ' TYR . 53.6 t -63.57 -57.21 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.582 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.474 HG12 ' O ' ' B' ' 12' ' ' ILE . 28.4 pt -57.76 -37.35 59.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.11 -54.58 35.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.727 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.66 -36.99 76.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.196 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -58.03 -31.64 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.26 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -91.17 -51.19 5.44 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.061 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -54.98 -19.69 7.38 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -22.98 65.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.586 0.232 . . . . 0.0 111.285 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 1.6 ptp180 -115.26 -12.13 11.87 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.044 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 17.7 m95 . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.009 0.433 . . . . 0.0 110.225 179.479 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.214 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.62 -40.78 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.49 -43.3 21.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.482 0.658 . . . . 0.0 109.73 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.5 m -60.36 -47.66 85.11 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.93 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.525 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 7.0 tp -66.66 -18.49 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.138 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 49.3 t -70.04 -17.82 63.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.286 0.565 . . . . 0.0 109.892 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -91.67 -27.94 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.779 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.525 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 2.9 p -91.61 -74.15 0.52 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.31 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.514 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 18.4 t70 -76.32 -34.21 59.03 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.497 0.665 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 96.37 126.04 5.04 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.528 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.1 p -95.24 142.23 27.9 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.21 165.41 13.96 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.635 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -64.18 -37.13 86.36 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 m -58.97 -39.02 80.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.051 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.9 -53.46 53.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.023 0.44 . . . . 0.0 110.781 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pp -71.24 -33.61 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 p -66.75 -31.53 72.23 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.335 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.97 64.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.361 0.601 . . . . 0.0 109.68 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.85 -16.79 46.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.365 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.273 -179.579 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.598 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 20.1 mtt180 -111.66 110.0 20.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.14 0.495 . . . . 0.0 111.887 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -123.66 153.64 40.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 m -120.69 119.23 32.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.37 -107.77 0.35 Allowed Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.054 -0.975 . . . . 0.0 114.512 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -51.48 -37.25 48.08 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 122.994 0.517 . . . . 0.0 112.199 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -61.35 -45.48 94.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.047 0.451 . . . . 0.0 110.45 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.55 ' O ' HG23 ' B' ' 15' ' ' VAL . 40.0 t80 -70.11 -48.49 57.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.046 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.448 ' O ' HG12 ' B' ' 16' ' ' ILE . 84.1 mt -54.41 -45.08 69.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.715 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 13' ' ' ARG . 24.9 ttm105 -59.79 -41.45 91.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.654 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -65.96 -42.17 90.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.612 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 11' ' ' TYR . 50.3 t -63.92 -56.95 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.26 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.448 HG12 ' O ' ' B' ' 12' ' ' ILE . 38.9 pt -59.28 -34.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -65.2 -54.4 30.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.721 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.2 -42.88 88.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.265 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 77.5 m -62.65 -27.22 69.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.44 -52.37 5.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.058 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -52.7 -28.47 22.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -16.5 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 23' ' ' ARG . 7.1 ptp180 -120.39 3.71 10.78 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.425 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 11.9 m95 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.924 0.393 . . . . 0.0 110.565 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.115 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.8 tp -55.62 -46.31 77.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.707 0.289 . . . . 0.0 111.162 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.453 HE21 ' HB3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -75.6 -38.89 58.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.233 0.54 . . . . 0.0 110.406 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -63.44 -45.45 90.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.944 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.96 -16.33 63.24 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.339 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 65.0 m -60.06 -25.42 65.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.7 0.286 . . . . 0.0 110.7 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.0 m -95.28 -38.44 10.54 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -51.28 61.99 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.504 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.598 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 10.0 t0 -128.13 -46.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 111.504 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.21 174.44 13.42 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.411 -0.9 . . . . 0.0 113.068 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p -147.79 146.58 29.22 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.52 163.52 12.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.301 0.572 . . . . 0.0 112.294 -178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.624 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.3 ttt -62.16 -49.29 76.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.767 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -57.87 -38.85 76.49 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.001 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.11 -48.87 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.54 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 14' ' ' MET . 3.2 pp -74.69 -28.11 60.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.705 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.7 m -65.44 -22.47 66.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.847 0.356 . . . . 0.0 110.183 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.67 -27.67 67.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.116 0.484 . . . . 0.0 109.822 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mp -82.68 -20.42 36.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 109.271 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.6 m . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.96 -179.801 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.506 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 2.2 mpt_? -110.81 95.79 5.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 110.79 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.452 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.6 mm? -107.43 122.37 46.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.786 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 m -105.03 121.77 44.47 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.7 -105.42 0.15 Allowed Glycine 0 C--N 1.335 0.483 0 CA-C-N 115.579 -0.737 . . . . 0.0 114.476 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.3 mt -52.66 -41.4 63.77 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 122.609 0.364 . . . . 0.0 111.446 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.91 -41.96 97.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.037 0.446 . . . . 0.0 110.246 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.452 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 77.0 t80 -65.95 -54.46 26.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.13 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.471 ' O ' HG12 ' B' ' 16' ' ' ILE . 59.3 mt -55.34 -47.88 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.363 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ttm105 -58.83 -44.4 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.441 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.1 m -67.58 -41.36 84.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.037 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 78.5 t -63.7 -54.21 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.439 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.471 HG12 ' O ' ' B' ' 12' ' ' ILE . 38.5 pt -60.96 -33.51 55.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -64.35 -50.4 67.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.462 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.12 -46.62 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.443 ' O ' ' HD2' ' B' ' 23' ' ' ARG . 92.2 m -61.57 -22.16 64.94 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 -57.66 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.342 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -54.56 -39.81 68.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -79.29 5.39 12.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' B' ' 19' ' ' CYS . 2.2 ptm85 -124.48 -10.08 7.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.7 m95 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.318 179.745 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.39 -46.62 80.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 111.007 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -46.94 65.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.202 0.525 . . . . 0.0 109.589 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.8 m -56.22 -47.36 78.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.636 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.547 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 10.3 tp -76.56 -14.01 60.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.173 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.506 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 52.4 t -72.83 -25.85 61.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.3 m -83.13 -25.63 31.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.284 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.547 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 1.1 p -93.42 -73.84 0.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.554 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.511 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 8.3 t70 -73.22 -55.32 6.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.547 0.689 . . . . 0.0 109.85 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 120.52 132.67 4.32 Favored Glycine 0 N--CA 1.442 -0.93 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.409 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.8 p -99.49 140.31 33.87 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.088 0.471 . . . . 0.0 109.988 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.556 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -98.11 160.63 14.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.806 -179.206 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.8 ttt -58.35 -38.08 76.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.302 0.572 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.1 -47.58 82.8 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.057 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -37.91 82.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.226 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 13' ' ' SER . 7.7 mt -71.6 -40.62 69.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.212 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -61.65 -25.19 67.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.758 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.34 -27.21 66.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.3 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mt -88.85 -10.49 47.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.436 0.636 . . . . 0.0 109.729 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.366 -179.335 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -100.71 100.23 10.89 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 111.294 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.573 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.7 mm? -116.15 116.86 28.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 m -87.56 112.19 22.01 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.46 -101.94 0.05 OUTLIER Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.439 -0.8 . . . . 0.0 114.718 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.7 mt -51.65 -40.18 59.5 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.779 0.432 . . . . 0.0 111.835 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.33 -40.38 96.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.095 0.474 . . . . 0.0 110.254 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.515 ' O ' HG23 ' B' ' 15' ' ' VAL . 30.2 t80 -71.68 -49.28 41.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.909 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.42 ' O ' HG12 ' B' ' 16' ' ' ILE . 89.1 mt -54.3 -44.05 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.493 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 23.7 ttm105 -61.67 -41.0 96.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.72 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -68.35 -41.04 81.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 11' ' ' TYR . 91.9 t -62.29 -56.69 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.42 HG12 ' O ' ' B' ' 12' ' ' ILE . 26.4 pt -59.78 -32.94 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -178.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -64.09 -53.02 56.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.63 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.83 -43.89 79.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.0 m -58.9 -38.63 79.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.656 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.84 43.26 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -58.89 -35.67 73.41 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -84.26 17.56 2.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.635 0.731 . . . . 0.0 109.769 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -126.42 -38.38 2.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.955 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 60.7 m95 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.449 -179.541 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.62 -46.68 86.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -72.34 -36.64 68.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.387 0.613 . . . . 0.0 109.85 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.8 m -64.74 -55.44 19.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.687 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.4 tp -68.88 -13.93 62.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 0.0 110.934 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -67.91 -18.62 64.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.09 0.472 . . . . 0.0 109.878 178.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.6 7.54 44.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.543 0.687 . . . . 0.0 109.643 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.8 m -130.79 -71.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.097 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -77.46 -58.85 3.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.69 155.75 10.79 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.203 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 m -117.91 137.38 52.86 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.65 166.05 15.65 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.48 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 25.9 ttt -58.17 -47.17 84.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 0.0 110.708 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -43.03 85.11 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.864 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -48.98 77.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.993 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 14' ' ' MET . 1.9 pp -76.87 -31.03 56.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.16 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.1 m -65.77 -20.75 66.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.747 0.308 . . . . 0.0 110.55 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.95 -27.22 68.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.07 0.462 . . . . 0.0 110.101 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.9 mt -86.72 -17.52 33.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.523 0.678 . . . . 0.0 109.533 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.6 m . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.948 -179.837 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.227 -0.131 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -112.21 105.88 14.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.875 0.369 . . . . 0.0 110.479 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.412 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.0 mm? -118.32 143.94 46.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.015 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.51 114.25 24.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.42 -101.26 0.04 OUTLIER Glycine 0 C--N 1.335 0.498 0 CA-C-N 115.693 -0.685 . . . . 0.0 114.32 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -52.97 -41.27 64.39 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.69 0.396 . . . . 0.0 111.642 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.35 -40.79 98.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.168 0.508 . . . . 0.0 110.104 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.412 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 53.5 t80 -67.31 -52.13 44.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.887 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.459 ' O ' HG12 ' B' ' 16' ' ' ILE . 75.3 mt -56.16 -45.58 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.124 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 24.5 ttm105 -59.85 -43.34 94.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.329 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 m -68.44 -38.89 81.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.53 -56.2 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 12' ' ' ILE . 33.0 pt -59.3 -32.45 48.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.554 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.42 -49.41 75.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.001 0.429 . . . . 0.0 110.276 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.7 mt -69.6 -46.71 74.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.628 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.5 m -57.36 -38.43 74.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.923 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.52 -49.52 26.12 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.757 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 16.1 m -58.81 -34.96 72.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.843 0.354 . . . . 0.0 111.028 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -84.56 17.37 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.702 0.763 . . . . 0.0 109.82 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -126.59 -38.44 2.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.855 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 60.4 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.49 -179.596 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.098 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.38 -60.37 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.11 0.256 . . . . 0.0 111.451 -178.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -65.67 -31.48 72.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.904 0.383 . . . . 0.0 110.377 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 4' ' ' GLN . 96.9 m -64.92 -47.68 76.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.486 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mt -75.73 -11.56 60.02 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.78 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 11.5 m -66.27 -25.53 66.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.895 0.379 . . . . 0.0 110.218 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.6 m -92.34 -1.24 57.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.114 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 -75.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.198 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.86 -54.46 5.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.247 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.42 179.01 15.64 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.052 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.0 131.45 23.76 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.6 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -91.1 175.14 7.06 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.7 ttt -57.97 -38.56 76.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.149 0.5 . . . . 0.0 110.715 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -46.25 88.3 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.105 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -42.08 82.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 13' ' ' SER . 1.4 mt -72.91 -40.38 65.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.656 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 m -62.15 -21.02 64.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.74 -25.23 67.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.16 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.06 -1.97 53.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.334 0.588 . . . . 0.0 109.797 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.036 -179.353 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -114.39 105.07 12.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.924 0.392 . . . . 0.0 110.807 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.418 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -119.69 137.06 54.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.348 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -116.29 115.46 25.98 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.692 -0.403 . . . . 0.0 112.075 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.53 -105.73 0.29 Allowed Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.696 -0.683 . . . . 0.0 113.967 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.584 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 92.8 mt -49.96 -47.82 52.39 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.766 0.333 . . . . 0.0 111.212 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.432 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.7 mm-40 -61.73 -37.07 82.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.418 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 74.4 t80 -68.06 -49.54 60.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.455 ' O ' HG12 ' B' ' 16' ' ' ILE . 51.9 mt -56.73 -47.37 82.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.825 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 39.3 mtm105 -60.91 -40.04 91.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.288 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.5 m -69.55 -41.75 75.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.756 0.312 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.85 -55.23 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.237 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.455 HG12 ' O ' ' B' ' 12' ' ' ILE . 31.0 pt -59.51 -31.33 46.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.379 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -64.11 -49.17 73.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 110.113 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.98 -45.88 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.552 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.6 m -57.73 -41.48 81.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.44 -47.58 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.838 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -57.1 -34.72 68.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.387 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.8 m -74.75 -14.07 60.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.409 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.19 -14.43 18.51 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.691 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 14.9 m95 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.976 0.417 . . . . 0.0 110.326 179.809 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.226 -0.147 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.12 -57.3 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -28.55 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.408 . . . . 0.0 110.752 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 m -68.86 -48.0 64.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.134 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.436 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 10.8 tp -69.04 -17.7 63.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 m -68.86 -18.66 64.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.914 0.388 . . . . 0.0 110.268 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.1 t -91.67 -14.97 29.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.018 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 3.6 p -106.9 -72.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.675 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.436 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 26.7 t70 -79.55 -50.12 11.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.39 0.614 . . . . 0.0 109.979 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.7 -177.67 17.23 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.589 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.98 143.04 29.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.096 0.474 . . . . 0.0 110.629 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -86.91 168.1 13.7 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.145 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.4 ttt -57.06 -37.88 72.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.292 0.567 . . . . 0.0 110.628 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -46.24 89.3 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.281 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -58.25 -41.26 83.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.211 -179.582 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -72.94 -38.3 66.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.362 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.8 m -63.59 -20.29 65.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.486 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.76 -24.92 66.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.5 mt -91.14 -5.47 55.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.396 0.617 . . . . 0.0 109.653 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 93.1 m . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.577 -179.813 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.587 0.232 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 55.5 mtt85 -122.25 103.67 8.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.17 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.405 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -112.63 120.29 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 67.4 m -102.5 116.59 32.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.45 -100.95 0.05 OUTLIER Glycine 0 C--N 1.335 0.516 0 CA-C-N 115.584 -0.735 . . . . 0.0 114.557 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.4 mt -53.1 -43.86 67.17 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 122.503 0.321 . . . . 0.0 111.34 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.36 -38.86 92.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.186 0.517 . . . . 0.0 110.161 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.405 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 35.9 t80 -66.43 -56.26 11.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.173 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.442 ' O ' HG12 ' B' ' 16' ' ' ILE . 60.9 mt -55.28 -46.36 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.357 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -58.64 -44.03 89.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.501 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 19.4 m -68.99 -39.8 79.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.98 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.3 -53.51 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.335 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.442 HG12 ' O ' ' B' ' 12' ' ' ILE . 35.9 pt -60.38 -31.86 49.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.506 0.193 . . . . 0.0 111.427 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -65.48 -52.44 52.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.59 -44.3 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.385 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.7 m -59.11 -31.48 68.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.175 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.88 -50.96 29.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 9.6 m -63.5 -15.76 58.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.712 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 56.8 m -75.42 -6.81 51.96 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.616 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -37.23 3.7 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 3.2 m95 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.253 -179.676 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.226 -0.151 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.2 tp -53.92 -47.79 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 111.624 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -76.67 -42.76 40.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.303 0.573 . . . . 0.0 110.006 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.2 m -58.96 -50.08 75.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.173 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.89 -17.9 64.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.513 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.45 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 53.2 t -67.14 -24.17 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.5 m -89.11 -40.55 12.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.055 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.56 -58.17 1.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.386 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 142.75 163.61 9.79 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.529 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 p -139.72 152.77 46.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.53 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 20.5 m -113.73 173.78 6.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.325 0.583 . . . . 0.0 111.337 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ttp -60.08 -32.45 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.806 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -49.47 76.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.954 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.88 -38.76 86.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 13' ' ' SER . 8.0 mt -70.51 -41.08 73.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.648 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -62.06 -24.64 67.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.69 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.3 -26.96 68.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.164 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.0 mt -88.28 -13.15 41.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.486 0.66 . . . . 0.0 109.694 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.8 m . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.135 -179.377 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 7' ' ' CYS . 3.9 mpt_? -118.02 93.99 4.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 111.038 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.461 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.6 mm? -110.34 124.58 51.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.553 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -100.83 114.79 28.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.12 -100.76 0.04 OUTLIER Glycine 0 C--N 1.336 0.569 0 CA-C-N 115.705 -0.68 . . . . 0.0 114.582 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 tp -53.44 -39.8 64.69 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 122.486 0.315 . . . . 0.0 111.31 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -65.01 -40.65 95.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.284 0.564 . . . . 0.0 109.768 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 4' ' ' GLN . 53.4 t80 -66.21 -53.29 39.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.833 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.449 ' O ' HG12 ' B' ' 16' ' ' ILE . 65.9 mt -54.54 -47.09 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.125 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -59.44 -44.63 92.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.439 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.2 m -68.03 -38.7 82.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.945 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.2 -57.51 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 12' ' ' ILE . 31.0 pt -58.3 -32.29 44.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.526 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -63.12 -51.47 66.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.176 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.77 -47.74 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.499 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.6 m -55.19 -34.98 64.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.724 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -81.64 -53.21 6.43 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.065 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -52.51 -34.29 48.95 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.7 m -69.39 -8.42 46.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 8.5 ptp180 -121.58 1.93 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.044 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 11.5 m95 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.374 179.821 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.111 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.81 -44.76 82.31 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.498 ' HG2' ' CD2' ' B' ' 11' ' ' TYR . 9.5 mt-30 -70.44 -46.44 63.87 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.9 m -55.31 -49.25 72.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.576 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.639 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 6.1 mt -78.11 -13.24 59.94 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.497 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.452 ' O ' ' HG3' ' B' ' 5' ' ' ARG . 50.6 t -73.24 -29.14 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.248 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -82.31 -22.79 35.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.327 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.639 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -97.02 -71.9 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -74.38 -57.69 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.442 0.639 . . . . 0.0 109.51 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 126.5 141.92 5.56 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.863 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.72 132.11 56.73 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.655 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 97.6 p -99.1 177.04 5.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.037 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ttt -57.48 -35.88 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.152 0.501 . . . . 0.0 110.244 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -49.72 76.06 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.318 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.71 -38.85 82.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.523 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 13' ' ' SER . 2.6 mt -72.6 -40.92 66.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.739 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.8 m -61.7 -23.42 66.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.94 -23.1 67.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.299 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.12 1.02 49.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.27 0.557 . . . . 0.0 109.87 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.221 -179.251 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 6.4 mmt85 -84.15 92.94 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.943 0.402 . . . . 0.0 111.324 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.0 mt -112.54 101.69 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.908 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 m -85.24 112.23 20.56 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.52 -101.36 0.07 OUTLIER Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.353 -0.84 . . . . 0.0 114.721 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -50.47 -40.86 52.03 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 122.95 0.5 . . . . 0.0 112.103 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.93 -43.21 98.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 110.565 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.471 ' O ' HG22 ' B' ' 15' ' ' VAL . 28.4 t80 -69.58 -49.84 50.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.052 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -54.3 -44.61 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.9 ttm105 -60.87 -42.01 97.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.031 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -70.66 -36.23 73.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.471 HG22 ' O ' ' B' ' 11' ' ' TYR . 75.6 t -62.37 -56.3 18.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 15.5 pt -61.2 -31.2 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.283 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -67.58 -54.77 17.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.698 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 71.3 mt -65.62 -44.13 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.059 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 m -58.17 -42.08 85.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.053 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.24 66.02 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 26.6 m -58.54 -39.57 80.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.314 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -73.45 -15.12 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.252 0.548 . . . . 0.0 110.405 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -89.37 -37.78 14.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.218 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 37.6 m95 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.31 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.224 -0.253 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -50.72 70.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.755 0.312 . . . . 0.0 111.412 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 5.4 mt-30 -70.75 -36.68 73.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.371 0.605 . . . . 0.0 110.308 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.0 m -66.3 -47.24 74.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.468 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.55 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 14.2 tp -67.54 -11.01 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.103 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 17.9 m -64.4 -23.41 67.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.964 0.411 . . . . 0.0 110.571 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 m -101.37 -22.29 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.511 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.55 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -82.94 -51.24 7.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.928 0.394 . . . . 0.0 110.79 179.396 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.45 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 19.6 t70 -111.15 -53.49 2.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.732 0.777 . . . . 0.0 109.504 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.72 136.59 5.44 Favored Glycine 0 N--CA 1.438 -1.171 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.078 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.85 139.93 30.28 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 m -104.35 170.99 7.58 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.051 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ttt -67.34 -30.35 70.15 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -57.14 14.31 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.287 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -42.25 99.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.146 0.498 . . . . 0.0 110.21 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.41 -44.93 95.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.415 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.8 m -62.39 -34.67 77.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 0.0 110.515 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.63 -26.51 67.1 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.246 0.546 . . . . 0.0 110.093 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.43 HD21 ' HH ' ' B' ' 11' ' ' TYR . 6.1 tp -82.59 -25.01 33.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.684 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.754 -179.728 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 121.345 0.593 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.572 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 95.4 mtt-85 -94.01 91.25 6.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.418 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.2 mt -106.71 110.31 22.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.823 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -98.34 115.61 28.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.976 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.8 -102.6 0.08 OUTLIER Glycine 0 C--N 1.333 0.398 0 CA-C-N 115.62 -0.718 . . . . 0.0 114.287 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.08 -42.49 65.92 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 122.536 0.334 . . . . 0.0 111.488 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.28 -38.08 89.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.09 0.472 . . . . 0.0 110.339 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.414 ' O ' HG21 ' B' ' 15' ' ' VAL . 73.7 t80 -69.9 -54.51 13.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.162 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -54.38 -45.71 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.287 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -60.86 -42.14 97.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.512 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.2 m -71.97 -37.93 69.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.965 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.414 HG21 ' O ' ' B' ' 11' ' ' TYR . 61.6 t -61.32 -54.41 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.572 0.225 . . . . 0.0 110.673 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 pt -60.93 -31.94 51.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.746 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -66.56 -49.5 66.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.046 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.49 -46.66 95.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.4 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.53 -41.88 86.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.769 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.97 -47.22 66.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.787 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -57.04 -35.28 69.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 111.302 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m -70.91 -19.36 62.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.306 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -18.93 21.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.505 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.324 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.086 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.3 tp -58.15 -52.92 63.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.264 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -64.08 -39.23 93.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.409 0.624 . . . . 0.0 109.611 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -62.03 -56.67 16.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.192 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.87 -19.67 66.01 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.363 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.572 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 1.7 m -64.26 -18.3 64.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 109.934 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.9 t -106.1 -43.29 4.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.525 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -66.47 -45.61 79.14 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.243 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -111.41 -43.25 3.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 111.611 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.56 122.79 5.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.729 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 p -100.68 178.84 4.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.861 0.362 . . . . 0.0 111.34 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 p -113.13 168.31 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.625 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.8 ttm -60.12 -35.26 74.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 110.697 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -52.3 65.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.29 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.13 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.45 -39.75 94.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.511 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -67.88 -19.98 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.068 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.23 -23.55 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.059 0.457 . . . . 0.0 110.331 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.0 -9.73 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.423 0.63 . . . . 0.0 109.633 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.644 -179.624 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -113.13 91.06 3.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.933 0.397 . . . . 0.0 110.84 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.498 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.1 mm? -109.51 116.49 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.631 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 96.3 m -96.84 113.72 25.29 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.39 -100.42 0.05 OUTLIER Glycine 0 C--N 1.336 0.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.293 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 89.1 mt -49.87 -47.21 52.02 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 122.485 0.314 . . . . 0.0 111.266 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.429 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.7 mm-40 -62.27 -38.61 89.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.636 ' CD1' ' HG3' ' A' ' 4' ' ' GLN . 44.8 t80 -65.01 -49.78 68.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.43 ' O ' HG12 ' B' ' 16' ' ' ILE . 55.0 mt -57.24 -48.46 82.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.213 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 39.4 mtm105 -59.86 -43.14 94.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.494 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -67.63 -39.97 84.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.89 -55.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.405 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.43 HG12 ' O ' ' B' ' 12' ' ' ILE . 30.9 pt -57.55 -31.29 38.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.424 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.29 -48.49 77.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 110.122 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 72.3 mt -67.17 -50.25 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 m -62.08 -18.52 60.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.423 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -95.57 -53.15 3.84 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.054 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.8 m -54.52 -36.04 63.82 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -74.62 -5.03 40.69 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 9.1 ptp180 -115.62 -11.36 11.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.769 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.7 m95 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.349 179.653 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.225 -0.193 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.9 tp -58.42 -45.87 87.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 111.438 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.636 ' HG3' ' CD1' ' B' ' 11' ' ' TYR . 2.1 mp0 -74.73 -42.62 57.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.401 0.62 . . . . 0.0 109.715 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.3 m -61.12 -50.73 72.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.534 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 19.1 tp -63.26 -17.41 62.46 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.557 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 43.8 t -67.51 -21.43 65.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.283 0.563 . . . . 0.0 109.605 178.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.1 m -95.32 -34.14 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.418 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -73.36 -58.28 3.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.656 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -101.31 -44.85 5.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.21 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 121.69 148.75 7.91 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.413 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.2 p -125.18 140.02 53.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.096 0.448 . . . . 0.0 110.048 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.661 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 88.9 p -109.99 177.5 4.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.364 -0.38 . . . . 0.0 109.975 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.4 ttt -58.33 -31.49 67.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.249 0.547 . . . . 0.0 110.262 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -52.76 64.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.485 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -43.64 96.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.997 0.427 . . . . 0.0 110.888 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 13' ' ' SER . 2.9 mt -63.12 -50.96 68.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.139 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -66.17 -24.65 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.451 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.44 -31.76 71.3 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.727 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.01 -11.49 58.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.374 0.607 . . . . 0.0 109.642 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.704 179.587 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.456 -0.163 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -105.65 108.71 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.928 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.9 mm? -119.66 146.69 45.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 20.0 m -112.48 114.27 26.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.09 -98.09 0.01 OUTLIER Glycine 0 C--N 1.337 0.627 0 O-C-N 124.035 0.834 . . . . 0.0 114.506 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.8 mt -51.32 -41.42 60.51 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.662 0.385 . . . . 0.0 111.708 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -35.17 74.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -66.84 -48.5 68.7 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.424 ' O ' HG12 ' B' ' 16' ' ' ILE . 76.7 mt -60.93 -40.59 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.777 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' B' ' 9' ' ' LEU . 2.8 tpp180 -56.94 -48.23 78.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.685 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -68.95 -37.8 79.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.03 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.84 -54.48 33.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.072 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . 0.424 HG12 ' O ' ' B' ' 12' ' ' ILE . 28.2 pt -61.52 -28.9 44.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.552 0.215 . . . . 0.0 110.963 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.83 -52.36 30.75 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.01 -44.79 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.348 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.57 -6.58 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.713 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.456 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -109.67 -54.74 2.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.498 0.19 . . . . 0.0 110.932 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 18.0 m -56.36 -36.42 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 25.3 m -77.9 0.26 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.646 0.26 . . . . 0.0 111.61 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 4.1 ptp180 -112.67 -17.95 12.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.421 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 17.7 m95 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 0.0 110.408 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.079 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 6.0 mt -55.08 -47.89 74.27 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.175 0.297 . . . . 0.0 111.728 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -71.21 -41.36 70.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.0 109.75 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.0 m -59.07 -52.19 66.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.645 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 7.5 mt -78.35 -8.36 58.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.29 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.582 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -69.85 -27.62 64.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.955 0.407 . . . . 0.0 110.002 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.7 m -90.54 -1.86 57.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.159 0.504 . . . . 0.0 110.167 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.474 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.97 -72.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.638 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -82.51 -55.24 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.882 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.37 172.56 13.47 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.848 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.7 m -129.22 138.29 51.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.759 0.314 . . . . 0.0 110.365 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.74 169.27 9.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.717 0.294 . . . . 0.0 111.051 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.2 tpt -53.8 -49.91 67.29 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.223 0.535 . . . . 0.0 111.035 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -48.48 73.07 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.72 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -42.46 84.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.504 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.61 -37.97 70.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.723 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 m -65.65 -19.63 65.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.12 -22.47 65.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.086 0.469 . . . . 0.0 110.37 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.99 -4.06 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.711 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.682 -179.553 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 5.3 mpt_? -102.01 110.4 22.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.978 0.418 . . . . 0.0 111.174 -179.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.457 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -124.13 128.94 50.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.088 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 m -108.66 119.46 39.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.58 -108.18 0.65 Allowed Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.363 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 18.3 tp -54.28 -39.11 66.59 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 122.475 0.31 . . . . 0.0 111.352 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -63.94 -39.82 95.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.148 0.499 . . . . 0.0 109.985 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . 0.457 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 46.8 t80 -69.66 -53.06 20.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.943 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -51.96 -45.35 40.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.887 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 13' ' ' ARG . 27.9 ttm105 -61.44 -42.61 99.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.295 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m -69.21 -37.58 78.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.781 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.437 HG21 ' O ' ' B' ' 11' ' ' TYR . 72.1 t -63.02 -58.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.71 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 21.4 pt -57.38 -30.9 36.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.437 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -63.82 -47.46 80.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.194 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.7 -49.76 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.655 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 m -59.82 -40.72 89.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.474 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.07 -45.8 72.81 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.886 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 23.9 m -59.7 -37.71 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.726 0.298 . . . . 0.0 111.08 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.7 m -74.1 -13.38 60.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.345 0.593 . . . . 0.0 110.43 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -91.76 -37.51 12.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.158 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 24.9 m95 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.407 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.225 -0.199 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.05 -55.3 36.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.566 0.222 . . . . 0.0 110.943 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -37.33 87.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.286 0.565 . . . . 0.0 110.204 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.5 m -65.42 -52.17 55.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.639 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.444 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 9.5 tp -68.37 -21.37 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.741 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.521 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 5.4 m -67.69 -17.03 64.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.92 0.391 . . . . 0.0 110.076 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.55 -25.33 19.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.882 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.444 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 5.4 p -96.35 -74.88 0.55 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.17 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.24 -44.69 44.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.362 0.601 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.78 175.67 24.75 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.836 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -142.05 158.63 43.54 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.43 174.07 6.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.5 ttt -56.04 -35.61 67.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.354 0.597 . . . . 0.0 110.793 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -49.13 78.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.548 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -48.66 78.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.041 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.83 -42.34 97.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.991 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -68.79 -26.37 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.613 0.244 . . . . 0.0 110.364 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.74 65.21 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.83 -23.04 60.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.823 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.795 179.743 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.025 0.44 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -127.41 121.63 31.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.288 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.425 ' HB3' ' C ' ' A' ' 12' ' ' CYS . 4.4 m -142.97 179.15 7.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.28 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.25 144.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -102.56 103.94 14.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.906 0.384 . . . . 0.0 110.829 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.9 mm? -113.6 133.72 55.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.55 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 m -114.68 114.5 25.73 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.45 -105.16 0.26 Allowed Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.694 -0.685 . . . . 0.0 114.239 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.17 -42.22 65.98 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 122.611 0.365 . . . . 0.0 111.564 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.47 -39.25 92.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.143 0.497 . . . . 0.0 110.36 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.403 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 83.3 t80 -69.92 -54.49 13.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.228 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.463 ' O ' HG12 ' B' ' 16' ' ' ILE . 68.1 mt -53.24 -46.38 56.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.165 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -59.24 -43.75 92.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.412 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.2 m -68.8 -39.43 80.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.111 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.37 -53.21 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.415 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.463 HG12 ' O ' ' B' ' 12' ' ' ILE . 37.9 pt -60.41 -31.46 48.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.53 0.205 . . . . 0.0 111.221 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -64.08 -49.5 72.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.086 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -67.31 -45.35 86.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.519 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -58.3 -41.76 85.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.27 -48.02 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.723 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -56.63 -36.72 69.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.286 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.0 m -72.87 -19.31 61.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.343 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -17.97 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -88.83 -50.63 6.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.254 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.448 -0.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 121.079 0.466 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.42 153.07 37.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.355 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -55.53 -45.87 77.13 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.73 0.412 . . . . 0.0 111.756 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -76.2 -39.81 53.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.39 0.614 . . . . 0.0 109.955 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.5 m -61.84 -52.88 62.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.118 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.83 -9.57 58.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.237 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -68.6 -20.35 64.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.051 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.0 t -92.56 13.3 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.648 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -138.17 -68.99 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.966 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -77.04 -62.03 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.456 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.48 152.49 9.3 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' C ' ' HB3' ' B' ' 3' ' ' SER . 4.9 m -116.67 140.08 49.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.889 0.376 . . . . 0.0 110.212 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -89.68 163.84 14.96 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.3 ttm -57.6 -42.44 83.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.492 . . . . 0.0 111.019 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.39 -42.45 91.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.225 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -37.37 82.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.154 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 13' ' ' SER . 7.6 mt -70.64 -36.66 73.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.102 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -64.52 -29.85 70.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.023 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -22.67 62.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.238 0.542 . . . . 0.0 109.762 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 tp -88.07 -17.24 31.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.406 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.4 m -83.16 64.94 7.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.754 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.437 -0.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.446 ' HG3' ' OG ' ' B' ' 3' ' ' SER . 12.7 pttp . . . . . 0 C--O 1.235 0.296 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -83.06 64.72 7.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.418 0.628 . . . . 0.0 110.335 -179.635 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.446 ' OG ' ' HG3' ' B' ' 1' ' ' LYS . 13.4 m -81.87 112.33 18.9 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.531 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.406 ' HB ' ' CD2' ' B' ' 6' ' ' LEU . 2.7 t -102.01 160.58 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 8.6 mpt_? -94.47 88.42 5.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.009 0.433 . . . . 0.0 111.972 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.444 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 1.3 mm? -107.79 105.82 15.83 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 m -100.32 119.49 38.5 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.23 -106.16 0.69 Allowed Glycine 0 C--N 1.334 0.438 0 CA-C-N 115.595 -0.729 . . . . 0.0 114.126 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.32 -41.03 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.531 0.332 . . . . 0.0 111.439 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.49 -40.3 95.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 4' ' ' GLN . 55.4 t80 -67.25 -54.18 23.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.0 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.448 ' O ' HG12 ' B' ' 16' ' ' ILE . 66.6 mt -54.61 -48.55 71.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.339 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.8 ttm105 -58.12 -43.62 87.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.633 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -69.88 -40.98 75.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.323 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.04 -50.8 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.523 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.448 HG12 ' O ' ' B' ' 12' ' ' ILE . 37.5 pt -62.51 -31.86 53.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.0 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -65.21 -50.64 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.216 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.1 mt -64.78 -47.46 88.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.5 m -57.82 -41.97 83.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.05 -49.09 60.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -56.09 -36.98 68.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.701 0.286 . . . . 0.0 111.461 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.4 m -72.61 -19.23 61.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.57 -18.17 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.536 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -88.59 -50.58 6.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.239 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.446 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 121.128 0.49 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.12 156.85 19.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.152 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.94 -42.84 80.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.304 . . . . 0.0 111.693 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.565 ' HG2' ' CE2' ' B' ' 11' ' ' TYR . 5.3 mt-30 -76.75 -43.56 36.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.496 0.665 . . . . 0.0 109.708 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.4 m -60.74 -49.44 77.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.976 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 11.1 tp -66.59 -20.05 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.181 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 47.7 t -67.24 -17.9 65.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.1 0.476 . . . . 0.0 110.152 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -90.9 -19.9 22.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.981 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 3.5 p -102.12 -74.57 0.62 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.199 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.433 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 29.6 t70 -79.73 -26.4 40.82 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 109.951 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 91.87 143.4 11.95 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.079 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.36 133.77 47.87 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.598 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -87.28 158.89 18.97 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.576 -178.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.5 ttp -63.16 -36.23 82.93 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -57.29 -47.07 82.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.961 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.81 -44.37 94.02 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.999 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 13' ' ' SER . 12.8 mt -64.69 -37.73 88.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -63.11 -35.83 81.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.214 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.37 -24.48 64.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.268 0.556 . . . . 0.0 110.042 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -86.02 -22.27 27.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.633 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 m -86.39 62.53 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.69 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.404 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.861 0.362 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -87.05 56.35 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.368 0.604 . . . . 0.0 109.979 179.639 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -81.55 119.51 23.86 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.061 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 t -120.23 158.2 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.55 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 25.1 mtt180 -99.07 101.4 12.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.232 0.539 . . . . 0.0 111.423 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.412 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.7 mm? -108.47 116.59 32.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.306 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.7 m -102.03 114.87 29.37 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.49 -102.02 0.1 OUTLIER Glycine 0 C--N 1.336 0.537 0 CA-C-N 115.692 -0.685 . . . . 0.0 114.257 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.19 -41.21 65.03 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.524 0.33 . . . . 0.0 111.475 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.98 -40.17 96.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.132 0.491 . . . . 0.0 110.278 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.532 ' CE2' ' HG2' ' A' ' 4' ' ' GLN . 61.6 t80 -68.33 -55.64 11.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.881 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -52.18 -45.34 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.249 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.7 ttm105 -60.74 -40.52 92.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.173 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -70.21 -39.92 74.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.67 -53.34 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 25.1 pt -61.07 -31.19 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.7 0.286 . . . . 0.0 110.899 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -67.55 -50.32 59.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.058 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.91 -43.81 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.34 -22.45 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.45 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.579 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -92.62 -46.78 7.43 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.153 -0.219 . . . . 0.0 110.594 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.5 m -53.99 -28.95 41.03 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -17.31 64.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 11.2 ptp180 -110.91 0.47 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.985 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -107.85 -42.39 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.431 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.455 -0.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 121.041 0.448 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.35 158.37 22.19 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.1 tp -58.26 -54.22 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.792 0.269 . . . . 0.0 111.103 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.532 ' HG2' ' CE2' ' B' ' 11' ' ' TYR . 3.2 mt-30 -63.59 -38.96 93.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.411 0.624 . . . . 0.0 109.855 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -63.82 -54.77 29.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.553 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.73 -23.94 66.47 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.066 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 50.6 m -58.47 -26.02 62.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 109.927 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 t -99.14 -39.86 8.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.643 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -62.28 -47.23 85.26 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.571 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.55 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 8.3 t0 -130.4 -44.69 1.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.32 158.69 9.25 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.415 -0.898 . . . . 0.0 113.227 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 m -136.48 152.32 50.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' B' ' 2' ' ' GLU . 0.8 OUTLIER -91.89 163.18 14.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.072 0.463 . . . . 0.0 111.563 -179.034 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.1 ttm -65.71 -42.72 90.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.379 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.415 ' HG1' ' CD ' ' B' ' 2' ' ' GLU . 1.6 p -59.71 -42.4 92.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.847 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.54 -45.89 84.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.256 0.551 . . . . 0.0 109.787 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.15 -35.35 79.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.429 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -64.84 -35.73 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.184 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -26.02 66.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.15 0.5 . . . . 0.0 110.04 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -82.18 -24.84 34.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.41 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.82 57.87 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.757 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.402 -0.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.833 0.349 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -87.67 58.61 4.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.337 0.589 . . . . 0.0 109.803 179.533 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -83.08 118.11 23.32 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.043 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.59 161.57 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.573 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 36.6 mtt180 -105.66 96.37 6.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.202 0.525 . . . . 0.0 111.848 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.404 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.7 mm? -109.14 123.76 49.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.978 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 16.2 m -104.68 117.21 33.53 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.12 -101.16 0.05 OUTLIER Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.469 -0.787 . . . . 0.0 114.248 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 51.0 tp -50.74 -41.31 56.28 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.714 0.406 . . . . 0.0 111.292 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.8 -38.44 79.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.491 ' O ' HG21 ' B' ' 15' ' ' VAL . 60.0 t80 -65.25 -50.37 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.3 -43.77 86.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.274 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' B' ' 9' ' ' LEU . 0.0 OUTLIER -60.11 -39.64 86.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.913 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.9 m -69.87 -42.5 73.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.491 HG21 ' O ' ' B' ' 11' ' ' TYR . 95.6 t -61.27 -52.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.155 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.48 -31.22 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.617 0.246 . . . . 0.0 111.014 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.25 -46.91 69.19 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.94 -44.9 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.215 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 m -59.3 -37.86 78.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.778 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.26 70.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.196 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.0 m -60.52 -38.35 84.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -68.86 -18.43 64.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.239 0.542 . . . . 0.0 110.517 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -90.91 -37.6 13.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.626 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -79.09 -45.96 19.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.148 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.699 -0.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 121.118 0.485 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.4 156.55 22.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.035 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -50.05 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.012 0.434 . . . . 0.0 110.816 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.435 HE21 ' HB3' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -68.41 -44.48 74.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.994 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.5 m -59.65 -56.65 19.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.866 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.38 -22.33 66.82 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.823 -0.171 . . . . 0.0 111.426 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.545 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 49.4 t -63.58 -23.41 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 t -97.23 -39.84 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.292 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -46.42 84.76 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.177 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.573 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 10.5 t0 -127.77 -50.22 1.36 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.411 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.14 158.07 7.5 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.183 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.8 p -136.78 140.97 42.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' B' ' 2' ' ' GLU . 0.9 OUTLIER -91.07 159.19 16.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.309 0.576 . . . . 0.0 112.358 -177.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.5 ttt -63.61 -44.97 92.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.444 ' HG1' ' CD ' ' B' ' 2' ' ' GLU . 2.2 p -58.07 -43.45 86.95 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.231 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.77 -44.08 85.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.344 0.593 . . . . 0.0 109.759 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.43 -33.86 71.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.69 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.3 m -64.99 -26.01 68.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.741 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.31 -27.56 68.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.097 0.475 . . . . 0.0 110.318 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mt -88.35 -18.8 27.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.613 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 m -104.84 43.96 1.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.951 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.446 ' HB3' ' OD2' ' A' ' 10' ' ' ASP . 1.3 ttpm? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -57.06 122.66 12.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.043 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 1.1 p -165.76 -170.37 1.77 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.569 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m -82.55 139.01 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.446 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 5.0 mpt_? -101.9 106.76 17.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.94 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 10.9 mt -119.87 125.38 48.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.552 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 50.5 m -99.51 113.78 26.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.431 ' O ' HG12 ' B' ' 12' ' ' ILE . . . 49.1 -100.97 0.04 OUTLIER Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.544 -0.753 . . . . 0.0 114.537 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 95.2 mt -52.89 -40.74 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.505 0.322 . . . . 0.0 111.756 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.94 -38.54 91.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.269 0.556 . . . . 0.0 110.018 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -68.73 -48.76 62.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.094 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.437 ' O ' HG12 ' B' ' 16' ' ' ILE . 30.5 mm -56.22 -47.03 81.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -44.59 95.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.57 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -66.49 -42.03 88.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.384 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 70.2 t -62.79 -55.47 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.266 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.437 HG12 ' O ' ' B' ' 12' ' ' ILE . 29.1 pt -60.08 -30.49 45.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.5 0.191 . . . . 0.0 111.473 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.95 -51.21 60.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.308 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 72.6 mt -67.03 -44.61 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.7 m -61.95 -24.76 67.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.271 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.426 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -89.73 -54.02 4.25 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.947 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -52.8 -27.42 18.01 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -18.38 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 7.6 ptp180 -119.28 0.83 11.24 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.187 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -112.49 72.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 110.212 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.261 -0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 121.033 0.444 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.09 158.77 18.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.73 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.2 tp -56.92 -39.85 75.23 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.58 -36.43 22.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 110.062 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -66.05 -48.84 69.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.882 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.573 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 20.4 tp -69.54 -8.24 45.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.989 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.541 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -69.14 -22.58 63.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.993 0.425 . . . . 0.0 110.043 179.278 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.8 m -94.03 -30.54 14.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.95 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.573 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -77.92 -55.6 5.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.152 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.446 ' OD2' ' HB3' ' B' ' 1' ' ' LYS . 23.8 t70 -105.44 -60.3 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.146 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.64 175.16 13.85 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.628 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' O ' ' HB2' ' B' ' 3' ' ' SER . 39.1 m -131.82 139.45 48.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.885 0.374 . . . . 0.0 110.811 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.568 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -92.98 161.62 14.38 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.151 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.0 ttt -56.8 -38.46 72.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.329 0.585 . . . . 0.0 110.755 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.74 -46.39 89.3 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.37 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -41.24 85.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.627 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 13' ' ' SER . 0.7 OUTLIER -72.32 -41.11 66.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.294 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.8 m -62.26 -21.03 64.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.765 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.35 -24.7 65.74 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.981 0.42 . . . . 0.0 110.07 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.64 -5.37 53.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.454 0.645 . . . . 0.0 109.597 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.62 -16.1 27.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.269 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.841 0.353 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.56 148.03 43.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.533 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 63.5 m -157.28 -162.72 1.25 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.441 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.1 m -79.95 119.97 30.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.062 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 20.7 mmt180 -80.36 75.86 7.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.575 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 55.1 mt -90.33 102.45 15.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.505 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -98.88 115.33 28.61 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.649 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.496 ' HA2' ' OE1' ' A' ' 4' ' ' GLN . . . 56.31 -107.39 0.86 Allowed Glycine 0 C--N 1.33 0.224 0 CA-C-N 115.6 -0.727 . . . . 0.0 114.108 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 17.5 tp -53.4 -37.84 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.527 0.331 . . . . 0.0 111.659 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -62.79 -42.14 99.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.107 0.48 . . . . 0.0 110.212 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.42 ' HH ' HD22 ' A' ' 3' ' ' LEU . 86.2 t80 -68.52 -52.61 30.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.996 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -53.76 -48.46 61.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.384 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 29.3 ttm105 -60.04 -44.12 94.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.842 -179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -70.99 -37.46 72.71 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.199 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.65 -53.52 45.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.484 0.183 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 20.1 pt -61.32 -31.79 51.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.624 0.25 . . . . 0.0 110.745 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -67.66 -49.65 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.207 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.64 -47.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.631 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.3 m -58.9 -40.88 85.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.027 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.88 63.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.697 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -56.33 -37.7 70.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.323 . . . . 0.0 111.355 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.2 m -72.52 -18.81 61.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.353 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -18.57 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.716 0.293 . . . . 0.0 110.562 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -88.49 -50.33 6.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.899 0.381 . . . . 0.0 110.279 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.443 -0.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 121.123 0.487 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.29 154.86 22.71 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.42 HD22 ' HH ' ' B' ' 11' ' ' TYR . 1.4 tt -56.86 -51.9 67.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.493 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.496 ' OE1' ' HA2' ' B' ' 8' ' ' GLY . 0.1 OUTLIER -62.74 -40.92 98.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.422 0.63 . . . . 0.0 110.172 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -65.67 -51.44 59.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.72 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.04 -18.56 63.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.609 -178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.486 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 18.3 m -64.62 -18.29 64.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.248 0.547 . . . . 0.0 110.079 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -103.56 -36.85 7.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.345 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -48.75 58.83 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.763 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -114.78 -44.53 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.134 0.492 . . . . 0.0 110.852 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.95 141.22 8.63 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.182 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.533 ' O ' ' HB3' ' B' ' 3' ' ' SER . 5.6 p -122.44 161.65 23.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.72 0.295 . . . . 0.0 110.508 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.5 p -107.18 176.28 5.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.7 ttt -59.15 -34.36 72.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.21 0.529 . . . . 0.0 110.253 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -50.06 74.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.354 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.84 -42.11 92.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.372 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.33 -41.91 88.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.009 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.8 m -65.78 -20.88 66.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.71 -23.85 66.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.93 0.395 . . . . 0.0 110.585 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -93.04 -10.06 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.344 0.592 . . . . 0.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.6 m -89.63 63.66 6.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.668 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.361 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 17.4 pttt . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.401 ' CD ' ' HG ' ' A' ' 13' ' ' SER . 21.3 pm0 -81.09 168.4 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.445 ' HB2' ' HA3' ' A' ' 11' ' ' GLY . 10.8 p -137.6 106.85 6.06 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.043 -0.663 . . . . 0.0 112.024 -178.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' CYS . 18.8 m -105.64 144.54 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.577 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 3.6 mpt_? -93.62 89.03 6.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.14 0.495 . . . . 0.0 111.572 -178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.9 mt -108.66 102.09 11.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.657 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.3 m -86.86 112.91 22.21 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.56 -101.8 0.06 OUTLIER Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.497 -0.774 . . . . 0.0 114.34 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.567 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 45.8 tp -47.61 -45.1 27.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.015 0.526 . . . . 0.0 111.905 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.444 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.6 mm-40 -59.98 -40.36 88.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.759 0.314 . . . . 0.0 111.375 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.425 ' O ' HG23 ' B' ' 15' ' ' VAL . 60.7 t80 -70.03 -45.0 68.11 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.415 ' O ' HG12 ' B' ' 16' ' ' ILE . 68.4 mt -57.34 -47.67 84.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.866 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 41.9 mtm105 -60.16 -39.06 85.06 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -69.79 -41.45 75.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.6 t -64.12 -54.71 28.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 12' ' ' ILE . 29.5 pt -59.91 -31.67 48.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.785 -0.189 . . . . 0.0 111.421 -178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -64.68 -54.89 24.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.444 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . 0.478 HD13 ' CD1' ' A' ' 17' ' ' LEU . 18.4 mt -67.76 -40.97 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -57.07 -43.91 82.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.706 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.87 65.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.962 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 44.3 m -58.25 -38.91 77.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.636 0.255 . . . . 0.0 111.335 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -73.67 -14.13 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.405 0.621 . . . . 0.0 110.459 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -92.36 -37.86 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.335 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -81.11 -45.64 16.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.621 -0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.075 0.464 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.22 152.31 38.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.747 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.83 -51.83 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.992 0.182 . . . . 0.0 111.306 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -62.6 -42.8 99.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.396 0.617 . . . . 0.0 109.553 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -59.03 -43.56 91.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.78 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.56 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 1.4 tp -74.97 -22.44 58.55 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.51 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.577 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 46.3 m -63.96 -28.32 69.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.998 0.428 . . . . 0.0 110.52 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.2 m -86.66 -22.03 26.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.459 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.56 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -100.43 -74.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.66 -44.14 82.66 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.401 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.445 ' HA3' ' HB2' ' B' ' 3' ' ' SER . . . 90.84 101.82 1.22 Allowed Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' O ' HG23 ' B' ' 4' ' ' VAL . 1.7 p -70.42 155.72 40.31 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.398 0.618 . . . . 0.0 111.927 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.401 ' HG ' ' CD ' ' B' ' 2' ' ' GLU . 2.6 t -105.99 162.51 13.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.986 -1.007 . . . . 0.0 108.958 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.407 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 48.5 ttp -57.53 -35.63 70.54 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -44.47 96.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.104 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.78 -49.8 75.4 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.626 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' CD1' HD13 ' B' ' 18' ' ' ILE . 0.6 OUTLIER -72.33 -25.46 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.392 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 m -67.99 -32.13 72.31 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.17 -23.03 62.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.339 0.59 . . . . 0.0 109.676 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 tp -85.22 -21.19 29.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.326 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -88.05 61.74 6.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.556 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.433 -0.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.503 ' HD2' ' OG ' ' A' ' 13' ' ' SER . 37.8 pttt . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -89.56 70.3 7.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.466 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.87 96.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.318 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.83 160.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 8.2 mpt_? -101.56 87.69 3.24 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.44 ' HB3' ' CA ' ' B' ' 11' ' ' TYR . 1.7 mm? -107.77 103.33 12.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 m -101.28 117.29 34.68 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.26 -106.41 0.73 Allowed Glycine 0 C--N 1.333 0.415 0 CA-C-N 115.597 -0.729 . . . . 0.0 114.021 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.56 -41.01 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.498 0.319 . . . . 0.0 111.569 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -63.9 -38.22 90.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.113 0.482 . . . . 0.0 110.393 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.44 ' CA ' ' HB3' ' B' ' 6' ' ' LEU . 86.5 t80 -70.83 -54.23 12.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.014 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.474 ' O ' HG12 ' B' ' 16' ' ' ILE . 66.9 mt -53.36 -47.01 58.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.279 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.1 ttm105 -59.15 -46.55 88.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.449 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 21.8 m -67.52 -39.79 85.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.401 HG22 ' O ' ' B' ' 11' ' ' TYR . 53.6 t -63.57 -57.21 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.582 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.474 HG12 ' O ' ' B' ' 12' ' ' ILE . 28.4 pt -57.76 -37.35 59.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.11 -54.58 35.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.727 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.66 -36.99 76.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.196 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -58.03 -31.64 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.26 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -91.17 -51.19 5.44 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.061 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -54.98 -19.69 7.38 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -22.98 65.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.586 0.232 . . . . 0.0 111.285 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 1.6 ptp180 -115.26 -12.13 11.87 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.044 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -102.27 70.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.009 0.433 . . . . 0.0 110.225 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 121.082 0.468 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.99 158.06 18.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.326 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.62 -40.78 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.49 -43.3 21.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.482 0.658 . . . . 0.0 109.73 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.5 m -60.36 -47.66 85.11 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.93 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.525 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 7.0 tp -66.66 -18.49 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.138 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 49.3 t -70.04 -17.82 63.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.286 0.565 . . . . 0.0 109.892 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -91.67 -27.94 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.779 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.525 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 2.9 p -91.61 -74.15 0.52 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.31 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.514 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 18.4 t70 -76.32 -34.21 59.03 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.497 0.665 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 96.37 126.04 5.04 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.528 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.1 p -95.24 142.23 27.9 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -90.21 165.41 13.96 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.635 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -64.18 -37.13 86.36 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 m -58.97 -39.02 80.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.051 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.9 -53.46 53.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.023 0.44 . . . . 0.0 110.781 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pp -71.24 -33.61 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 p -66.75 -31.53 72.23 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.335 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.97 64.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.361 0.601 . . . . 0.0 109.68 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.85 -16.79 46.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.365 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 m -84.01 44.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.273 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.531 -0.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.836 0.351 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -88.15 55.38 3.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.466 0.651 . . . . 0.0 109.767 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.4 m -83.88 124.31 30.84 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.259 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -121.45 164.52 18.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.444 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.598 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 20.1 mtt180 -111.66 110.0 20.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.14 0.495 . . . . 0.0 111.887 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -123.66 153.64 40.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 m -120.69 119.23 32.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.37 -107.77 0.35 Allowed Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.054 -0.975 . . . . 0.0 114.512 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -51.48 -37.25 48.08 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 122.994 0.517 . . . . 0.0 112.199 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -61.35 -45.48 94.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.047 0.451 . . . . 0.0 110.45 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.55 ' O ' HG23 ' B' ' 15' ' ' VAL . 40.0 t80 -70.11 -48.49 57.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.046 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.448 ' O ' HG12 ' B' ' 16' ' ' ILE . 84.1 mt -54.41 -45.08 69.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.715 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 13' ' ' ARG . 24.9 ttm105 -59.79 -41.45 91.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.654 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -65.96 -42.17 90.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.612 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 11' ' ' TYR . 50.3 t -63.92 -56.95 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.26 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.448 HG12 ' O ' ' B' ' 12' ' ' ILE . 38.9 pt -59.28 -34.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -65.2 -54.4 30.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.721 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 94.0 mt -67.2 -42.88 88.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.265 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 77.5 m -62.65 -27.22 69.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.44 -52.37 5.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.058 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -52.7 -28.47 22.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -16.5 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 23' ' ' ARG . 7.1 ptp180 -120.39 3.71 10.78 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.425 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -113.69 -37.64 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.924 0.393 . . . . 0.0 110.565 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.631 -0.259 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.055 0.455 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.8 154.9 23.27 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.126 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.8 tp -55.62 -46.31 77.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.707 0.289 . . . . 0.0 111.162 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.453 HE21 ' HB3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -75.6 -38.89 58.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.233 0.54 . . . . 0.0 110.406 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -63.44 -45.45 90.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.944 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.96 -16.33 63.24 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.339 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 65.0 m -60.06 -25.42 65.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.7 0.286 . . . . 0.0 110.7 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.0 m -95.28 -38.44 10.54 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -51.28 61.99 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.504 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.598 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 10.0 t0 -128.13 -46.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 111.504 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.21 174.44 13.42 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.411 -0.9 . . . . 0.0 113.068 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p -147.79 146.58 29.22 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' B' ' 2' ' ' GLU . 0.8 OUTLIER -98.52 163.52 12.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.301 0.572 . . . . 0.0 112.294 -178.547 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.624 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.3 ttt -62.16 -49.29 76.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.767 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -57.87 -38.85 76.49 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.001 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.11 -48.87 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.54 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 14' ' ' MET . 3.2 pp -74.69 -28.11 60.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.705 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.7 m -65.44 -22.47 66.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.847 0.356 . . . . 0.0 110.183 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.67 -27.67 67.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.116 0.484 . . . . 0.0 109.822 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mp -82.68 -20.42 36.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 109.271 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.6 m -76.95 -39.77 49.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.96 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.434 -0.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.472 ' HA ' ' OE1' ' B' ' 2' ' ' GLU . 6.3 tp10 -125.09 138.99 54.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -138.13 -171.97 3.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.386 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 t -102.68 156.27 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.506 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 2.2 mpt_? -110.81 95.79 5.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 110.79 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.452 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.6 mm? -107.43 122.37 46.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.786 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 m -105.03 121.77 44.47 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.7 -105.42 0.15 Allowed Glycine 0 C--N 1.335 0.483 0 CA-C-N 115.579 -0.737 . . . . 0.0 114.476 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.3 mt -52.66 -41.4 63.77 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 122.609 0.364 . . . . 0.0 111.446 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.91 -41.96 97.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.037 0.446 . . . . 0.0 110.246 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.452 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 77.0 t80 -65.95 -54.46 26.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.13 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.471 ' O ' HG12 ' B' ' 16' ' ' ILE . 59.3 mt -55.34 -47.88 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.363 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ttm105 -58.83 -44.4 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.441 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.1 m -67.58 -41.36 84.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.037 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 78.5 t -63.7 -54.21 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.439 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.471 HG12 ' O ' ' B' ' 12' ' ' ILE . 38.5 pt -60.96 -33.51 55.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -64.35 -50.4 67.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.462 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.12 -46.62 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.443 ' O ' ' HD2' ' B' ' 23' ' ' ARG . 92.2 m -61.57 -22.16 64.94 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 -57.66 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.342 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -54.56 -39.81 68.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -79.29 5.39 12.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.443 ' HD2' ' O ' ' B' ' 19' ' ' CYS . 2.2 ptm85 -124.48 -10.08 7.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -94.89 72.41 3.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.318 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.348 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 121.114 0.483 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.55 150.02 32.93 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.806 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.39 -46.62 80.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 111.007 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -46.94 65.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.202 0.525 . . . . 0.0 109.589 179.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.8 m -56.22 -47.36 78.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.636 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.547 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 10.3 tp -76.56 -14.01 60.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.173 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.506 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 52.4 t -72.83 -25.85 61.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.3 m -83.13 -25.63 31.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.284 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.547 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 1.1 p -93.42 -73.84 0.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.554 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.511 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 8.3 t70 -73.22 -55.32 6.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.547 0.689 . . . . 0.0 109.85 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 120.52 132.67 4.32 Favored Glycine 0 N--CA 1.442 -0.93 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.409 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.8 p -99.49 140.31 33.87 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.088 0.471 . . . . 0.0 109.988 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.556 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -98.11 160.63 14.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.806 -179.206 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.8 ttt -58.35 -38.08 76.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.302 0.572 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.1 -47.58 82.8 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.057 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -37.91 82.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.226 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 13' ' ' SER . 7.7 mt -71.6 -40.62 69.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.212 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -61.65 -25.19 67.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.758 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.34 -27.21 66.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.3 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mt -88.85 -10.49 47.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.436 0.636 . . . . 0.0 109.729 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.2 m -82.28 -24.26 34.81 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.366 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.688 0.28 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.455 ' HA ' ' OE1' ' B' ' 2' ' ' GLU . 19.2 tp10 -81.21 133.97 35.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.067 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.533 ' HB3' ' C ' ' A' ' 12' ' ' CYS . 6.5 m -142.54 178.03 7.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.347 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.01 144.35 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -100.71 100.23 10.89 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 111.294 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.573 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.7 mm? -116.15 116.86 28.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 m -87.56 112.19 22.01 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.46 -101.94 0.05 OUTLIER Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.439 -0.8 . . . . 0.0 114.718 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.7 mt -51.65 -40.18 59.5 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.779 0.432 . . . . 0.0 111.835 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.33 -40.38 96.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.095 0.474 . . . . 0.0 110.254 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.515 ' O ' HG23 ' B' ' 15' ' ' VAL . 30.2 t80 -71.68 -49.28 41.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.909 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.42 ' O ' HG12 ' B' ' 16' ' ' ILE . 89.1 mt -54.3 -44.05 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.493 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 23.7 ttm105 -61.67 -41.0 96.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.72 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -68.35 -41.04 81.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 11' ' ' TYR . 91.9 t -62.29 -56.69 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.42 HG12 ' O ' ' B' ' 12' ' ' ILE . 26.4 pt -59.78 -32.94 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -178.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -64.09 -53.02 56.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.63 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.83 -43.89 79.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.0 m -58.9 -38.63 79.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.656 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.84 43.26 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -58.89 -35.67 73.41 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -84.26 17.56 2.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.635 0.731 . . . . 0.0 109.769 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -126.42 -38.38 2.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.955 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -92.26 74.26 5.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.449 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.336 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 121.157 0.504 . . . . 0.0 111.578 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.21 152.45 26.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.2 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.62 -46.68 86.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -72.34 -36.64 68.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.387 0.613 . . . . 0.0 109.85 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.8 m -64.74 -55.44 19.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.687 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 18.4 tp -68.88 -13.93 62.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 0.0 110.934 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -67.91 -18.62 64.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.09 0.472 . . . . 0.0 109.878 178.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.6 7.54 44.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.543 0.687 . . . . 0.0 109.643 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.8 m -130.79 -71.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.097 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -77.46 -58.85 3.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.69 155.75 10.79 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.203 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.533 ' C ' ' HB3' ' B' ' 3' ' ' SER . 4.0 m -117.91 137.38 52.86 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.65 166.05 15.65 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.48 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 25.9 ttt -58.17 -47.17 84.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 0.0 110.708 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -43.03 85.11 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.864 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -48.98 77.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.993 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 14' ' ' MET . 1.9 pp -76.87 -31.03 56.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.16 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.1 m -65.77 -20.75 66.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.747 0.308 . . . . 0.0 110.55 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.95 -27.22 68.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.07 0.462 . . . . 0.0 110.101 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.9 mt -86.72 -17.52 33.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.523 0.678 . . . . 0.0 109.533 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.6 m -81.2 -38.57 26.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.948 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.436 -0.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.975 0.416 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -58.97 124.03 18.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.1 -170.98 3.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.914 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.95 148.33 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -112.21 105.88 14.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.875 0.369 . . . . 0.0 110.479 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.412 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.0 mm? -118.32 143.94 46.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.015 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.51 114.25 24.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.42 -101.26 0.04 OUTLIER Glycine 0 C--N 1.335 0.498 0 CA-C-N 115.693 -0.685 . . . . 0.0 114.32 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -52.97 -41.27 64.39 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.69 0.396 . . . . 0.0 111.642 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.35 -40.79 98.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.168 0.508 . . . . 0.0 110.104 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.412 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 53.5 t80 -67.31 -52.13 44.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.887 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.459 ' O ' HG12 ' B' ' 16' ' ' ILE . 75.3 mt -56.16 -45.58 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.124 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 24.5 ttm105 -59.85 -43.34 94.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.329 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 m -68.44 -38.89 81.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 76.6 t -64.53 -56.2 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.459 HG12 ' O ' ' B' ' 12' ' ' ILE . 33.0 pt -59.3 -32.45 48.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.554 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.42 -49.41 75.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.001 0.429 . . . . 0.0 110.276 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.7 mt -69.6 -46.71 74.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.628 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.5 m -57.36 -38.43 74.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.923 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.52 -49.52 26.12 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.757 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 16.1 m -58.81 -34.96 72.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.843 0.354 . . . . 0.0 111.028 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -84.56 17.37 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.702 0.763 . . . . 0.0 109.82 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -126.59 -38.44 2.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.855 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -92.01 74.12 5.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.49 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.348 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 121.15 0.5 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.01 156.23 36.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.018 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.38 -60.37 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.11 0.256 . . . . 0.0 111.451 -178.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -65.67 -31.48 72.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.904 0.383 . . . . 0.0 110.377 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.42 ' N ' ' HG2' ' A' ' 4' ' ' GLN . 96.9 m -64.92 -47.68 76.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.486 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.5 mt -75.73 -11.56 60.02 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.78 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 11.5 m -66.27 -25.53 66.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.895 0.379 . . . . 0.0 110.218 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.6 m -92.34 -1.24 57.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.114 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 -75.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.198 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.86 -54.46 5.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.247 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.42 179.01 15.64 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.052 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.0 131.45 23.76 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.6 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -91.1 175.14 7.06 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.7 ttt -57.97 -38.56 76.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.149 0.5 . . . . 0.0 110.715 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -46.25 88.3 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.105 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -42.08 82.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 13' ' ' SER . 1.4 mt -72.91 -40.38 65.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.656 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 m -62.15 -21.02 64.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.74 -25.23 67.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.16 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.06 -1.97 53.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.334 0.588 . . . . 0.0 109.797 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -95.99 -20.53 18.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.036 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.428 -0.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.434 ' HB3' ' OD2' ' A' ' 10' ' ' ASP . 1.3 ttpm? . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -57.55 120.74 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -165.24 -167.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.923 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.48 145.82 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -114.39 105.07 12.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.924 0.392 . . . . 0.0 110.807 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.418 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -119.69 137.06 54.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.348 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -116.29 115.46 25.98 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.692 -0.403 . . . . 0.0 112.075 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.53 -105.73 0.29 Allowed Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.696 -0.683 . . . . 0.0 113.967 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.584 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 92.8 mt -49.96 -47.82 52.39 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.766 0.333 . . . . 0.0 111.212 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.432 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.7 mm-40 -61.73 -37.07 82.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.418 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 74.4 t80 -68.06 -49.54 60.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.455 ' O ' HG12 ' B' ' 16' ' ' ILE . 51.9 mt -56.73 -47.37 82.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.825 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 39.3 mtm105 -60.91 -40.04 91.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.288 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.5 m -69.55 -41.75 75.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.756 0.312 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.85 -55.23 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.237 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.455 HG12 ' O ' ' B' ' 12' ' ' ILE . 31.0 pt -59.51 -31.33 46.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.379 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -64.11 -49.17 73.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 110.113 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.98 -45.88 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.552 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.6 m -57.73 -41.48 81.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.44 -47.58 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.838 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -57.1 -34.72 68.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.387 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.8 m -74.75 -14.07 60.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.409 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.19 -14.43 18.51 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.691 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -94.46 60.67 2.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.976 0.417 . . . . 0.0 110.326 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 116.43 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 121.007 0.432 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.96 161.08 19.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.23 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.12 -57.3 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -28.55 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.408 . . . . 0.0 110.752 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 m -68.86 -48.0 64.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.134 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.436 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 10.8 tp -69.04 -17.7 63.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 m -68.86 -18.66 64.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.914 0.388 . . . . 0.0 110.268 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.1 t -91.67 -14.97 29.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.018 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 3.6 p -106.9 -72.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.675 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.436 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 26.7 t70 -79.55 -50.12 11.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.39 0.614 . . . . 0.0 109.979 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.7 -177.67 17.23 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.589 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.98 143.04 29.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.096 0.474 . . . . 0.0 110.629 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -86.91 168.1 13.7 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.145 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.4 ttt -57.06 -37.88 72.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.292 0.567 . . . . 0.0 110.628 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -46.24 89.3 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.281 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -58.25 -41.26 83.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.211 -179.582 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -72.94 -38.3 66.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.362 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.8 m -63.59 -20.29 65.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.486 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.76 -24.92 66.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.5 mt -91.14 -5.47 55.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.396 0.617 . . . . 0.0 109.653 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 93.1 m -95.16 5.74 50.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.577 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.486 -0.324 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.02 12.47 35.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 122.079 0.942 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -130.02 166.08 20.85 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 114.036 -1.438 . . . . 0.0 109.87 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.91 164.09 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.587 0.232 . . . . 0.0 110.546 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 55.5 mtt85 -122.25 103.67 8.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.17 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.405 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -112.63 120.29 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 67.4 m -102.5 116.59 32.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.45 -100.95 0.05 OUTLIER Glycine 0 C--N 1.335 0.516 0 CA-C-N 115.584 -0.735 . . . . 0.0 114.557 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.4 mt -53.1 -43.86 67.17 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 122.503 0.321 . . . . 0.0 111.34 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.36 -38.86 92.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.186 0.517 . . . . 0.0 110.161 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.405 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 35.9 t80 -66.43 -56.26 11.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.173 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.442 ' O ' HG12 ' B' ' 16' ' ' ILE . 60.9 mt -55.28 -46.36 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.357 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -58.64 -44.03 89.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.501 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 19.4 m -68.99 -39.8 79.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.98 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.3 -53.51 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.335 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.442 HG12 ' O ' ' B' ' 12' ' ' ILE . 35.9 pt -60.38 -31.86 49.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.506 0.193 . . . . 0.0 111.427 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -65.48 -52.44 52.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.59 -44.3 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.385 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.7 m -59.11 -31.48 68.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.175 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.88 -50.96 29.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 9.6 m -63.5 -15.76 58.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.712 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 56.8 m -75.42 -6.81 51.96 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.616 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -37.23 3.7 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -86.65 75.16 9.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.253 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.415 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 121.127 0.489 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.18 157.67 18.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.611 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.2 tp -53.92 -47.79 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 111.624 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -76.67 -42.76 40.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.303 0.573 . . . . 0.0 110.006 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.2 m -58.96 -50.08 75.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.173 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.89 -17.9 64.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.513 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.45 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 53.2 t -67.14 -24.17 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.5 m -89.11 -40.55 12.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.055 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.56 -58.17 1.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.386 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 142.75 163.61 9.79 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.529 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 p -139.72 152.77 46.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.53 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 20.5 m -113.73 173.78 6.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.325 0.583 . . . . 0.0 111.337 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ttp -60.08 -32.45 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.806 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -49.47 76.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.954 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.88 -38.76 86.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 13' ' ' SER . 8.0 mt -70.51 -41.08 73.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.648 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -62.06 -24.64 67.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.69 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.3 -26.96 68.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.164 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.0 mt -88.28 -13.15 41.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.486 0.66 . . . . 0.0 109.694 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.8 m -91.31 -20.29 22.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.135 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.465 -0.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.551 0.215 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -57.85 127.9 34.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 61.6 m -157.96 -166.73 2.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.007 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 t -81.47 158.44 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 7' ' ' CYS . 3.9 mpt_? -118.02 93.99 4.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 111.038 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.461 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.6 mm? -110.34 124.58 51.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.553 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -100.83 114.79 28.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.12 -100.76 0.04 OUTLIER Glycine 0 C--N 1.336 0.569 0 CA-C-N 115.705 -0.68 . . . . 0.0 114.582 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 tp -53.44 -39.8 64.69 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 122.486 0.315 . . . . 0.0 111.31 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -65.01 -40.65 95.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.284 0.564 . . . . 0.0 109.768 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 4' ' ' GLN . 53.4 t80 -66.21 -53.29 39.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.833 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.449 ' O ' HG12 ' B' ' 16' ' ' ILE . 65.9 mt -54.54 -47.09 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.125 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -59.44 -44.63 92.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.439 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.2 m -68.03 -38.7 82.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.945 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.2 -57.51 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.449 HG12 ' O ' ' B' ' 12' ' ' ILE . 31.0 pt -58.3 -32.29 44.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.526 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -63.12 -51.47 66.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.176 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.77 -47.74 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.499 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.6 m -55.19 -34.98 64.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.724 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -81.64 -53.21 6.43 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.065 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -52.51 -34.29 48.95 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.7 m -69.39 -8.42 46.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 8.5 ptp180 -121.58 1.93 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.044 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -112.22 -41.82 3.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.374 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.47 -0.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 121.084 0.468 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.68 151.21 37.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.945 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.81 -44.76 82.31 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.498 ' HG2' ' CD2' ' B' ' 11' ' ' TYR . 9.5 mt-30 -70.44 -46.44 63.87 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.9 m -55.31 -49.25 72.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.576 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.639 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 6.1 mt -78.11 -13.24 59.94 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.497 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.452 ' O ' ' HG3' ' B' ' 5' ' ' ARG . 50.6 t -73.24 -29.14 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.248 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -82.31 -22.79 35.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.327 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.639 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -97.02 -71.9 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -74.38 -57.69 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.442 0.639 . . . . 0.0 109.51 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 126.5 141.92 5.56 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.863 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.72 132.11 56.73 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.655 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 97.6 p -99.1 177.04 5.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.037 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ttt -57.48 -35.88 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.152 0.501 . . . . 0.0 110.244 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -49.72 76.06 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.318 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.71 -38.85 82.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.523 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 13' ' ' SER . 2.6 mt -72.6 -40.92 66.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.739 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.8 m -61.7 -23.42 66.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.94 -23.1 67.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.299 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.12 1.02 49.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.27 0.557 . . . . 0.0 109.87 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.4 m -96.18 -26.64 15.38 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.221 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.43 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.472 ' HG3' ' OG ' ' B' ' 3' ' ' SER . 16.8 pttp . . . . . 0 C--O 1.234 0.263 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -77.5 57.69 1.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 122.111 0.958 . . . . 0.0 111.495 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.578 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.8 OUTLIER -71.61 113.7 8.92 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.042 -179.236 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 m -107.27 148.87 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 6.4 mmt85 -84.15 92.94 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.943 0.402 . . . . 0.0 111.324 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.0 mt -112.54 101.69 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.908 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 m -85.24 112.23 20.56 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.52 -101.36 0.07 OUTLIER Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.353 -0.84 . . . . 0.0 114.721 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -50.47 -40.86 52.03 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 122.95 0.5 . . . . 0.0 112.103 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.93 -43.21 98.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 110.565 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.471 ' O ' HG22 ' B' ' 15' ' ' VAL . 28.4 t80 -69.58 -49.84 50.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.052 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -54.3 -44.61 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.9 ttm105 -60.87 -42.01 97.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.031 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -70.66 -36.23 73.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.471 HG22 ' O ' ' B' ' 11' ' ' TYR . 75.6 t -62.37 -56.3 18.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 15.5 pt -61.2 -31.2 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.283 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -67.58 -54.77 17.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.698 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 71.3 mt -65.62 -44.13 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.059 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 m -58.17 -42.08 85.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.053 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.24 66.02 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 26.6 m -58.54 -39.57 80.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.314 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -73.45 -15.12 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.252 0.548 . . . . 0.0 110.405 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -89.37 -37.78 14.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.218 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -81.47 -45.84 15.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.667 -0.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.98 0.419 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.45 158.71 20.13 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -50.72 70.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.755 0.312 . . . . 0.0 111.412 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 5.4 mt-30 -70.75 -36.68 73.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.371 0.605 . . . . 0.0 110.308 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.0 m -66.3 -47.24 74.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.468 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.55 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 14.2 tp -67.54 -11.01 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.103 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 17.9 m -64.4 -23.41 67.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.964 0.411 . . . . 0.0 110.571 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 m -101.37 -22.29 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.511 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.55 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -82.94 -51.24 7.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.928 0.394 . . . . 0.0 110.79 179.396 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 19.6 t70 -111.15 -53.49 2.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.732 0.777 . . . . 0.0 109.504 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.578 ' O ' ' HB3' ' B' ' 3' ' ' SER . . . 118.72 136.59 5.44 Favored Glycine 0 N--CA 1.438 -1.171 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.078 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.85 139.93 30.28 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.525 ' HG ' ' N ' ' B' ' 3' ' ' SER . 5.4 m -104.35 170.99 7.58 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.051 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ttt -67.34 -30.35 70.15 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -57.14 14.31 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.287 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -42.25 99.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.146 0.498 . . . . 0.0 110.21 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 tt -60.41 -44.93 95.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.415 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.8 m -62.39 -34.67 77.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 0.0 110.515 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.63 -26.51 67.1 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.246 0.546 . . . . 0.0 110.093 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD21 ' HH ' ' B' ' 11' ' ' TYR . 6.1 tp -82.59 -25.01 33.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.684 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.3 m -85.55 63.96 8.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.754 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.349 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.516 ' HZ3' ' CG ' ' A' ' 10' ' ' ASP . 12.9 tmtt? . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.611 0.243 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -146.98 153.77 40.46 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 44.4 m -154.4 -165.24 2.03 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -79.97 118.62 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.305 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.572 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 95.4 mtt-85 -94.01 91.25 6.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.418 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.2 mt -106.71 110.31 22.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.823 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -98.34 115.61 28.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.976 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.8 -102.6 0.08 OUTLIER Glycine 0 C--N 1.333 0.398 0 CA-C-N 115.62 -0.718 . . . . 0.0 114.287 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.08 -42.49 65.92 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 122.536 0.334 . . . . 0.0 111.488 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.28 -38.08 89.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.09 0.472 . . . . 0.0 110.339 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.414 ' O ' HG21 ' B' ' 15' ' ' VAL . 73.7 t80 -69.9 -54.51 13.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.162 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -54.38 -45.71 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.287 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -60.86 -42.14 97.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.512 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.2 m -71.97 -37.93 69.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.965 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.414 HG21 ' O ' ' B' ' 11' ' ' TYR . 61.6 t -61.32 -54.41 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.572 0.225 . . . . 0.0 110.673 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 pt -60.93 -31.94 51.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.746 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -66.56 -49.5 66.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.046 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.49 -46.66 95.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.4 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.53 -41.88 86.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.769 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.97 -47.22 66.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.787 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -57.04 -35.28 69.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 111.302 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m -70.91 -19.36 62.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.306 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -18.93 21.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.505 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -86.62 -50.16 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.324 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.414 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 121.068 0.461 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.02 154.43 28.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.306 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.3 tp -58.15 -52.92 63.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.264 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -64.08 -39.23 93.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.409 0.624 . . . . 0.0 109.611 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -62.03 -56.67 16.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.192 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.87 -19.67 66.01 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.363 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.572 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 1.7 m -64.26 -18.3 64.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 109.934 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.9 t -106.1 -43.29 4.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.525 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -66.47 -45.61 79.14 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.243 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.516 ' CG ' ' HZ3' ' B' ' 1' ' ' LYS . 25.3 t70 -111.41 -43.25 3.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 111.611 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.56 122.79 5.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.729 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' O ' ' HB3' ' B' ' 3' ' ' SER . 1.7 p -100.68 178.84 4.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.861 0.362 . . . . 0.0 111.34 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 p -113.13 168.31 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.625 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.8 ttm -60.12 -35.26 74.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 110.697 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -52.3 65.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.29 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.13 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.45 -39.75 94.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.511 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -67.88 -19.98 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.068 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.23 -23.55 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.059 0.457 . . . . 0.0 110.331 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.0 -9.73 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.423 0.63 . . . . 0.0 109.633 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m -89.6 63.28 6.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.644 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.372 -0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.494 ' CD ' HH21 ' B' ' 5' ' ' ARG . 12.6 tp10 -61.84 143.23 56.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.103 0.478 . . . . 0.0 111.289 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -162.62 -168.25 1.77 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.785 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -71.79 149.84 9.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.494 HH21 ' CD ' ' B' ' 2' ' ' GLU . 16.5 mmt180 -113.13 91.06 3.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.933 0.397 . . . . 0.0 110.84 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.498 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.1 mm? -109.51 116.49 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.631 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 96.3 m -96.84 113.72 25.29 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.39 -100.42 0.05 OUTLIER Glycine 0 C--N 1.336 0.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.293 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.57 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 89.1 mt -49.87 -47.21 52.02 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 122.485 0.314 . . . . 0.0 111.266 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.429 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.7 mm-40 -62.27 -38.61 89.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.636 ' CD1' ' HG3' ' A' ' 4' ' ' GLN . 44.8 t80 -65.01 -49.78 68.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.43 ' O ' HG12 ' B' ' 16' ' ' ILE . 55.0 mt -57.24 -48.46 82.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.213 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 39.4 mtm105 -59.86 -43.14 94.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.494 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -67.63 -39.97 84.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.89 -55.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.405 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.43 HG12 ' O ' ' B' ' 12' ' ' ILE . 30.9 pt -57.55 -31.29 38.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.424 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.29 -48.49 77.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 110.122 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 72.3 mt -67.17 -50.25 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 m -62.08 -18.52 60.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.423 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -95.57 -53.15 3.84 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.054 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.8 m -54.52 -36.04 63.82 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -74.62 -5.03 40.69 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 9.1 ptp180 -115.62 -11.36 11.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.769 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -99.87 -40.45 7.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.349 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.462 -0.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 121.23 0.538 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.87 158.35 18.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.588 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.9 tp -58.42 -45.87 87.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 111.438 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.636 ' HG3' ' CD1' ' B' ' 11' ' ' TYR . 2.1 mp0 -74.73 -42.62 57.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.401 0.62 . . . . 0.0 109.715 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.3 m -61.12 -50.73 72.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.534 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 19.1 tp -63.26 -17.41 62.46 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.557 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 43.8 t -67.51 -21.43 65.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.283 0.563 . . . . 0.0 109.605 178.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.1 m -95.32 -34.14 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.418 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -73.36 -58.28 3.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.656 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -101.31 -44.85 5.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.21 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.557 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 121.69 148.75 7.91 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.413 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.2 p -125.18 140.02 53.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.096 0.448 . . . . 0.0 110.048 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.661 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 88.9 p -109.99 177.5 4.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.364 -0.38 . . . . 0.0 109.975 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.4 ttt -58.33 -31.49 67.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.249 0.547 . . . . 0.0 110.262 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -52.76 64.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.485 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -43.64 96.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.997 0.427 . . . . 0.0 110.888 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 13' ' ' SER . 2.9 mt -63.12 -50.96 68.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.139 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -66.17 -24.65 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.451 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.44 -31.76 71.3 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.727 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.01 -11.49 58.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.374 0.607 . . . . 0.0 109.642 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.46 33.34 5.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.704 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.335 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . 0.472 ' HE2' ' OG ' ' A' ' 13' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.995 0.426 . . . . 0.0 110.156 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -55.81 125.97 23.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.287 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.548 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 1.4 p -168.53 -170.94 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.574 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 m -83.95 139.85 17.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.097 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -105.65 108.71 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.928 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.9 mm? -119.66 146.69 45.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 20.0 m -112.48 114.27 26.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.09 -98.09 0.01 OUTLIER Glycine 0 C--N 1.337 0.627 0 O-C-N 124.035 0.834 . . . . 0.0 114.506 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.8 mt -51.32 -41.42 60.51 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.662 0.385 . . . . 0.0 111.708 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -35.17 74.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -66.84 -48.5 68.7 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.424 ' O ' HG12 ' B' ' 16' ' ' ILE . 76.7 mt -60.93 -40.59 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.777 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' B' ' 9' ' ' LEU . 2.8 tpp180 -56.94 -48.23 78.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.685 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -68.95 -37.8 79.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.03 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.84 -54.48 33.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.072 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . 0.424 HG12 ' O ' ' B' ' 12' ' ' ILE . 28.2 pt -61.52 -28.9 44.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.552 0.215 . . . . 0.0 110.963 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.83 -52.36 30.75 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.01 -44.79 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.348 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.57 -6.58 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.713 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.456 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -109.67 -54.74 2.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.498 0.19 . . . . 0.0 110.932 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 18.0 m -56.36 -36.42 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 25.3 m -77.9 0.26 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.646 0.26 . . . . 0.0 111.61 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 4.1 ptp180 -112.67 -17.95 12.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.421 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -88.68 72.44 8.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.346 -0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.071 0 CA-C-O 121.024 0.44 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.58 152.93 40.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.091 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 6.0 mt -55.08 -47.89 74.27 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.175 0.297 . . . . 0.0 111.728 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -71.21 -41.36 70.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.0 109.75 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.0 m -59.07 -52.19 66.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.645 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 7.5 mt -78.35 -8.36 58.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.29 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.582 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -69.85 -27.62 64.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.955 0.407 . . . . 0.0 110.002 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.7 m -90.54 -1.86 57.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.159 0.504 . . . . 0.0 110.167 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.474 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.97 -72.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.638 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -82.51 -55.24 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.882 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.37 172.56 13.47 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.848 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.548 ' O ' ' HB2' ' B' ' 3' ' ' SER . 57.7 m -129.22 138.29 51.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.759 0.314 . . . . 0.0 110.365 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.472 ' OG ' ' HE2' ' B' ' 1' ' ' LYS . 0.6 OUTLIER -99.74 169.27 9.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.717 0.294 . . . . 0.0 111.051 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.2 tpt -53.8 -49.91 67.29 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.223 0.535 . . . . 0.0 111.035 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -48.48 73.07 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.72 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -42.46 84.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.504 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.61 -37.97 70.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.723 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 m -65.65 -19.63 65.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.12 -22.47 65.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.086 0.469 . . . . 0.0 110.37 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.99 -4.06 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.711 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.2 m -92.1 58.62 3.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.682 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -53.48 120.76 6.52 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.57 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 20.1 m -158.94 -173.88 4.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.248 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 m -83.58 135.94 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.406 -0.517 . . . . 0.0 109.803 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 5.3 mpt_? -102.01 110.4 22.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.978 0.418 . . . . 0.0 111.174 -179.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.457 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -124.13 128.94 50.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.088 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 m -108.66 119.46 39.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.58 -108.18 0.65 Allowed Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.363 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 18.3 tp -54.28 -39.11 66.59 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 122.475 0.31 . . . . 0.0 111.352 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -63.94 -39.82 95.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.148 0.499 . . . . 0.0 109.985 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . 0.457 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 46.8 t80 -69.66 -53.06 20.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.943 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -51.96 -45.35 40.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.887 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 13' ' ' ARG . 27.9 ttm105 -61.44 -42.61 99.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.295 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m -69.21 -37.58 78.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.781 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.437 HG21 ' O ' ' B' ' 11' ' ' TYR . 72.1 t -63.02 -58.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.71 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 21.4 pt -57.38 -30.9 36.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.437 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -63.82 -47.46 80.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.194 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.7 -49.76 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.655 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 m -59.82 -40.72 89.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.474 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.07 -45.8 72.81 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.886 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 23.9 m -59.7 -37.71 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.726 0.298 . . . . 0.0 111.08 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.7 m -74.1 -13.38 60.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.345 0.593 . . . . 0.0 110.43 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -91.76 -37.51 12.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.158 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -81.7 -45.24 15.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.601 -0.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.064 0.459 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.62 158.55 20.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.6 tp -58.05 -55.3 36.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.566 0.222 . . . . 0.0 110.943 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -37.33 87.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.286 0.565 . . . . 0.0 110.204 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.5 m -65.42 -52.17 55.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.639 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.444 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 9.5 tp -68.37 -21.37 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.741 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.521 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 5.4 m -67.69 -17.03 64.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.92 0.391 . . . . 0.0 110.076 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.55 -25.33 19.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.882 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.444 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 5.4 p -96.35 -74.88 0.55 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.17 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.24 -44.69 44.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.362 0.601 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.78 175.67 24.75 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.836 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' O ' ' HB3' ' B' ' 3' ' ' SER . 0.6 OUTLIER -142.05 158.63 43.54 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.43 174.07 6.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.5 ttt -56.04 -35.61 67.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.354 0.597 . . . . 0.0 110.793 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -49.13 78.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.548 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -48.66 78.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.041 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.83 -42.34 97.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.991 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -68.79 -26.37 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.613 0.244 . . . . 0.0 110.364 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.74 65.21 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.83 -23.04 60.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.823 178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 m -111.04 36.25 3.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -102.56 103.94 14.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.906 0.384 . . . . 0.0 110.829 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.9 mm? -113.6 133.72 55.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.55 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 m -114.68 114.5 25.73 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.45 -105.16 0.26 Allowed Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.694 -0.685 . . . . 0.0 114.239 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.17 -42.22 65.98 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 122.611 0.365 . . . . 0.0 111.564 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.47 -39.25 92.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.143 0.497 . . . . 0.0 110.36 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.415 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 83.3 t80 -69.92 -54.49 13.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.228 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.464 ' O ' HG12 ' B' ' 16' ' ' ILE . 68.1 mt -53.24 -46.38 56.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.165 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.8 ttm105 -59.24 -43.75 92.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.412 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.2 m -68.8 -39.43 80.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.111 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.37 -53.21 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.415 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 12' ' ' ILE . 37.9 pt -60.41 -31.46 48.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.53 0.205 . . . . 0.0 111.221 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -64.08 -49.5 72.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.086 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -67.31 -45.35 86.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.519 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -58.3 -41.76 85.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.27 -48.02 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.723 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -56.63 -36.72 69.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.286 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.0 m -72.87 -19.31 61.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.343 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -17.97 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.6 m95 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.254 179.679 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.136 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -55.53 -45.87 77.13 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.73 0.412 . . . . 0.0 111.756 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -76.2 -39.81 53.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.39 0.614 . . . . 0.0 109.955 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.5 m -61.84 -52.88 62.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.118 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.83 -9.57 58.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.237 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -68.6 -20.35 64.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.051 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.0 t -92.56 13.3 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.648 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -138.17 -68.99 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.966 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -77.04 -62.03 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.456 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.48 152.49 9.3 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 m -116.67 140.08 49.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.889 0.376 . . . . 0.0 110.212 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.58 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -89.68 163.84 14.96 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.3 ttm -57.6 -42.44 83.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.492 . . . . 0.0 111.019 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.39 -42.45 91.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.225 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -37.37 82.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.154 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 13' ' ' SER . 7.6 mt -70.64 -36.66 73.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.102 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -64.52 -29.85 70.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.023 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -22.67 62.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.238 0.542 . . . . 0.0 109.762 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 tp -88.07 -17.24 31.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.406 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.4 m . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.754 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.418 ' HB ' ' CD2' ' B' ' 6' ' ' LEU . 2.7 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 8.6 mpt_? -94.47 88.42 5.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.009 0.433 . . . . 0.0 111.972 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.45 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 1.3 mm? -107.79 105.82 15.83 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 m -100.32 119.49 38.5 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.23 -106.16 0.69 Allowed Glycine 0 C--N 1.334 0.438 0 CA-C-N 115.595 -0.729 . . . . 0.0 114.126 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.32 -41.03 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.531 0.332 . . . . 0.0 111.439 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.49 -40.3 95.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.577 ' CE2' ' HG2' ' A' ' 4' ' ' GLN . 55.4 t80 -67.25 -54.18 23.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.0 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.451 ' O ' HG12 ' B' ' 16' ' ' ILE . 66.6 mt -54.61 -48.55 71.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.339 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.8 ttm105 -58.12 -43.62 87.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.633 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -69.88 -40.98 75.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.323 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.04 -50.8 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.523 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.451 HG12 ' O ' ' B' ' 12' ' ' ILE . 37.5 pt -62.51 -31.86 53.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.0 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -65.21 -50.64 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.216 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.1 mt -64.78 -47.46 88.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.5 m -57.82 -41.97 83.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.05 -49.09 60.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -56.09 -36.98 68.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.701 0.286 . . . . 0.0 111.461 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.4 m -72.61 -19.23 61.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.57 -18.17 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.536 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.8 m95 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.239 179.67 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.223 -0.32 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.94 -42.84 80.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.304 . . . . 0.0 111.693 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' B' ' 11' ' ' TYR . 5.3 mt-30 -76.75 -43.56 36.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.496 0.665 . . . . 0.0 109.708 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.4 m -60.74 -49.44 77.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.976 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 11.1 tp -66.59 -20.05 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.181 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 47.7 t -67.24 -17.9 65.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.1 0.476 . . . . 0.0 110.152 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -90.9 -19.9 22.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.981 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.428 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 3.5 p -102.12 -74.57 0.62 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.199 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 29.6 t70 -79.73 -26.4 40.82 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 109.951 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 91.87 143.4 11.95 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.079 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.36 133.77 47.87 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -87.28 158.89 18.97 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.576 -178.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.5 ttp -63.16 -36.23 82.93 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -57.29 -47.07 82.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.961 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.81 -44.37 94.02 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.999 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 13' ' ' SER . 12.8 mt -64.69 -37.73 88.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -63.11 -35.83 81.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.214 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.37 -24.48 64.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.268 0.556 . . . . 0.0 110.042 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -86.02 -22.27 27.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.633 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.69 -179.683 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.563 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 25.1 mtt180 -99.07 101.4 12.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.232 0.539 . . . . 0.0 111.423 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.423 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.7 mm? -108.47 116.59 32.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.306 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.7 m -102.03 114.87 29.37 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.49 -102.02 0.1 OUTLIER Glycine 0 C--N 1.336 0.537 0 CA-C-N 115.692 -0.685 . . . . 0.0 114.257 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.19 -41.21 65.03 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.524 0.33 . . . . 0.0 111.475 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.98 -40.17 96.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.132 0.491 . . . . 0.0 110.278 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.539 ' CE2' ' HG2' ' A' ' 4' ' ' GLN . 61.6 t80 -68.33 -55.64 11.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.881 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -52.18 -45.34 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.249 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.7 ttm105 -60.74 -40.52 92.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.173 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -70.21 -39.92 74.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.67 -53.34 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 25.1 pt -61.07 -31.19 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.7 0.286 . . . . 0.0 110.899 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -67.55 -50.32 59.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.058 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.91 -43.81 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.34 -22.45 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.45 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -92.62 -46.78 7.43 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.153 -0.219 . . . . 0.0 110.594 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.5 m -53.99 -28.95 41.03 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -17.31 64.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 11.2 ptp180 -110.91 0.47 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.985 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 15.6 m95 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.431 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.226 -0.169 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.1 tp -58.26 -54.22 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.792 0.269 . . . . 0.0 111.103 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.539 ' HG2' ' CE2' ' B' ' 11' ' ' TYR . 3.2 mt-30 -63.59 -38.96 93.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.411 0.624 . . . . 0.0 109.855 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -63.82 -54.77 29.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.553 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.73 -23.94 66.47 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.066 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 50.6 m -58.47 -26.02 62.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 109.927 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 t -99.14 -39.86 8.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.643 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -62.28 -47.23 85.26 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.571 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.563 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 8.3 t0 -130.4 -44.69 1.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.32 158.69 9.25 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.415 -0.898 . . . . 0.0 113.227 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 m -136.48 152.32 50.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.89 163.18 14.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.072 0.463 . . . . 0.0 111.563 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.1 ttm -65.71 -42.72 90.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.379 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -59.71 -42.4 92.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.847 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.54 -45.89 84.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.256 0.551 . . . . 0.0 109.787 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.15 -35.35 79.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.429 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -64.84 -35.73 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.184 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -26.02 66.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.15 0.5 . . . . 0.0 110.04 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -82.18 -24.84 34.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.41 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.757 -179.81 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.586 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 36.6 mtt180 -105.66 96.37 6.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.202 0.525 . . . . 0.0 111.848 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.416 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.7 mm? -109.14 123.76 49.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.978 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 16.2 m -104.68 117.21 33.53 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.12 -101.16 0.05 OUTLIER Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.469 -0.787 . . . . 0.0 114.248 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 51.0 tp -50.74 -41.31 56.28 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.714 0.406 . . . . 0.0 111.292 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.8 -38.44 79.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.502 ' O ' HG23 ' B' ' 15' ' ' VAL . 60.0 t80 -65.25 -50.37 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.3 -43.77 86.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.274 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' B' ' 9' ' ' LEU . 0.0 OUTLIER -60.11 -39.64 86.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.913 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.9 m -69.87 -42.5 73.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 11' ' ' TYR . 95.6 t -61.27 -52.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.155 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.48 -31.22 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.617 0.246 . . . . 0.0 111.014 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.25 -46.91 69.19 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.94 -44.9 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.215 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 m -59.3 -37.86 78.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.778 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.26 70.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.196 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.0 m -60.52 -38.35 84.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -68.86 -18.43 64.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.239 0.542 . . . . 0.0 110.517 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -90.91 -37.6 13.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.626 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 42.8 m95 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.148 -179.306 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -50.05 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.012 0.434 . . . . 0.0 110.816 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.424 HE21 ' HB3' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -68.41 -44.48 74.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.994 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.5 m -59.65 -56.65 19.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.866 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.38 -22.33 66.82 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.823 -0.171 . . . . 0.0 111.426 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.557 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 49.4 t -63.58 -23.41 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 t -97.23 -39.84 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.292 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -46.42 84.76 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.177 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.586 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 10.5 t0 -127.77 -50.22 1.36 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.411 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.14 158.07 7.5 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.183 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.8 p -136.78 140.97 42.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.07 159.19 16.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.309 0.576 . . . . 0.0 112.358 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.5 ttt -63.61 -44.97 92.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.2 p -58.07 -43.45 86.95 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.231 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.77 -44.08 85.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.344 0.593 . . . . 0.0 109.759 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.43 -33.86 71.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.69 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.3 m -64.99 -26.01 68.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.741 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.31 -27.56 68.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.097 0.475 . . . . 0.0 110.318 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mt -88.35 -18.8 27.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.613 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 m . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.951 -179.325 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 5.0 mpt_? -101.9 106.76 17.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.94 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 10.9 mt -119.87 125.38 48.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.552 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 50.5 m -99.51 113.78 26.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.444 ' O ' HG12 ' B' ' 12' ' ' ILE . . . 49.1 -100.97 0.04 OUTLIER Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.544 -0.753 . . . . 0.0 114.537 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 95.2 mt -52.89 -40.74 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.505 0.322 . . . . 0.0 111.756 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.94 -38.54 91.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.269 0.556 . . . . 0.0 110.018 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -68.73 -48.76 62.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.094 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.444 HG12 ' O ' ' B' ' 8' ' ' GLY . 30.5 mm -56.22 -47.03 81.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -44.59 95.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.57 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -66.49 -42.03 88.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.384 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 70.2 t -62.79 -55.47 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.266 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.433 HG12 ' O ' ' B' ' 12' ' ' ILE . 29.1 pt -60.08 -30.49 45.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.5 0.191 . . . . 0.0 111.473 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.95 -51.21 60.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.308 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 72.6 mt -67.03 -44.61 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.7 m -61.95 -24.76 67.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.271 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -89.73 -54.02 4.25 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.947 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -52.8 -27.42 18.01 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -18.38 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 7.6 ptp180 -119.28 0.83 11.24 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.187 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.6 m95 . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 110.212 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.225 -0.215 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.2 tp -56.92 -39.85 75.23 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.58 -36.43 22.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 110.062 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -66.05 -48.84 69.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.882 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.583 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 20.4 tp -69.54 -8.24 45.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.989 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -69.14 -22.58 63.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.993 0.425 . . . . 0.0 110.043 179.278 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.8 m -94.03 -30.54 14.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.95 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.583 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -77.92 -55.6 5.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.152 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -105.44 -60.3 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.146 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.64 175.16 13.85 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.628 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -131.82 139.45 48.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.885 0.374 . . . . 0.0 110.811 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -92.98 161.62 14.38 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.151 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.0 ttt -56.8 -38.46 72.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.329 0.585 . . . . 0.0 110.755 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.74 -46.39 89.3 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.37 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -41.24 85.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.627 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 13' ' ' SER . 0.7 OUTLIER -72.32 -41.11 66.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.294 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.8 m -62.26 -21.03 64.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.765 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.35 -24.7 65.74 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.981 0.42 . . . . 0.0 110.07 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.64 -5.37 53.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.454 0.645 . . . . 0.0 109.597 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.269 -179.132 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.151 0.5 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 20.7 mmt180 -80.36 75.86 7.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.575 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.422 ' HB3' ' CA ' ' B' ' 11' ' ' TYR . 55.1 mt -90.33 102.45 15.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.505 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -98.88 115.33 28.61 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.649 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.507 ' HA2' ' OE1' ' A' ' 4' ' ' GLN . . . 56.31 -107.39 0.86 Allowed Glycine 0 C--N 1.33 0.224 0 CA-C-N 115.6 -0.727 . . . . 0.0 114.108 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 17.5 tp -53.4 -37.84 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.527 0.331 . . . . 0.0 111.659 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -62.79 -42.14 99.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.107 0.48 . . . . 0.0 110.212 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.422 ' CA ' ' HB3' ' B' ' 6' ' ' LEU . 86.2 t80 -68.52 -52.61 30.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.996 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -53.76 -48.46 61.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.384 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 13' ' ' ARG . 29.3 ttm105 -60.04 -44.12 94.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.842 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -70.99 -37.46 72.71 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.199 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.65 -53.52 45.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.484 0.183 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 20.1 pt -61.32 -31.79 51.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.624 0.25 . . . . 0.0 110.745 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -67.66 -49.65 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.207 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.64 -47.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.631 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.3 m -58.9 -40.88 85.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.027 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.88 63.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.697 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -56.33 -37.7 70.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.323 . . . . 0.0 111.355 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.2 m -72.52 -18.81 61.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.353 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -18.57 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.716 0.293 . . . . 0.0 110.562 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.7 m95 . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.899 0.381 . . . . 0.0 110.279 179.742 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.384 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -56.86 -51.9 67.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.493 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.507 ' OE1' ' HA2' ' B' ' 8' ' ' GLY . 0.1 OUTLIER -62.74 -40.92 98.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.422 0.63 . . . . 0.0 110.172 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -65.67 -51.44 59.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.72 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 14.3 tp -63.04 -18.56 63.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.609 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 18.3 m -64.62 -18.29 64.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.248 0.547 . . . . 0.0 110.079 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -103.56 -36.85 7.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.345 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -48.75 58.83 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.763 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 23.8 t70 -114.78 -44.53 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.134 0.492 . . . . 0.0 110.852 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.95 141.22 8.63 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.182 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 p -122.44 161.65 23.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.72 0.295 . . . . 0.0 110.508 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.5 p -107.18 176.28 5.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.7 ttt -59.15 -34.36 72.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.21 0.529 . . . . 0.0 110.253 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -50.06 74.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.354 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.84 -42.11 92.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.372 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.33 -41.91 88.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.009 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.8 m -65.78 -20.88 66.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.71 -23.85 66.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.93 0.395 . . . . 0.0 110.585 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -93.04 -10.06 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.344 0.592 . . . . 0.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.668 -179.683 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 12' ' ' CYS . 18.8 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.59 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 3.6 mpt_? -93.62 89.03 6.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.14 0.495 . . . . 0.0 111.572 -178.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.9 mt -108.66 102.09 11.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.657 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.3 m -86.86 112.91 22.21 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.56 -101.8 0.06 OUTLIER Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.497 -0.774 . . . . 0.0 114.34 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.571 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 45.8 tp -47.61 -45.1 27.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.015 0.526 . . . . 0.0 111.905 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.445 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.6 mm-40 -59.98 -40.36 88.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.759 0.314 . . . . 0.0 111.375 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.458 ' O ' HG23 ' B' ' 15' ' ' VAL . 60.7 t80 -70.03 -45.0 68.11 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.415 ' O ' HG12 ' B' ' 16' ' ' ILE . 68.4 mt -57.34 -47.67 84.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.866 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 41.9 mtm105 -60.16 -39.06 85.06 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -69.79 -41.45 75.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.6 t -64.12 -54.71 28.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 12' ' ' ILE . 29.5 pt -59.91 -31.67 48.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.785 -0.189 . . . . 0.0 111.421 -178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -64.68 -54.89 24.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.444 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.502 HD12 ' CD1' ' A' ' 17' ' ' LEU . 18.4 mt -67.76 -40.97 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -57.07 -43.91 82.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.706 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.87 65.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.962 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 44.3 m -58.25 -38.91 77.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.636 0.255 . . . . 0.0 111.335 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -73.67 -14.13 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.405 0.621 . . . . 0.0 110.459 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -92.36 -37.86 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.335 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 56.0 m95 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.351 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.105 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.83 -51.83 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.992 0.182 . . . . 0.0 111.306 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -62.6 -42.8 99.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.396 0.617 . . . . 0.0 109.553 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -59.03 -43.56 91.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.78 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.564 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 1.4 tp -74.97 -22.44 58.55 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.51 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.59 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 46.3 m -63.96 -28.32 69.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.998 0.428 . . . . 0.0 110.52 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.2 m -86.66 -22.03 26.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.459 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.564 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -100.43 -74.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.66 -44.14 82.66 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.401 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.84 101.82 1.22 Allowed Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' O ' HG22 ' B' ' 4' ' ' VAL . 1.7 p -70.42 155.72 40.31 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.398 0.618 . . . . 0.0 111.927 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -105.99 162.51 13.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.986 -1.007 . . . . 0.0 108.958 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.411 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 48.5 ttp -57.53 -35.63 70.54 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -44.47 96.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.104 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.78 -49.8 75.4 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.626 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD1' HD12 ' B' ' 18' ' ' ILE . 0.6 OUTLIER -72.33 -25.46 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.392 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 m -67.99 -32.13 72.31 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.17 -23.03 62.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.339 0.59 . . . . 0.0 109.676 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 tp -85.22 -21.19 29.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.326 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.556 179.808 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 8.2 mpt_? -101.56 87.69 3.24 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.46 ' HB3' ' CA ' ' B' ' 11' ' ' TYR . 1.7 mm? -107.77 103.33 12.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 m -101.28 117.29 34.68 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.26 -106.41 0.73 Allowed Glycine 0 C--N 1.333 0.415 0 CA-C-N 115.597 -0.729 . . . . 0.0 114.021 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.56 -41.01 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.498 0.319 . . . . 0.0 111.569 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -63.9 -38.22 90.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.113 0.482 . . . . 0.0 110.393 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.46 ' CA ' ' HB3' ' B' ' 6' ' ' LEU . 86.5 t80 -70.83 -54.23 12.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.014 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.474 ' O ' HG12 ' B' ' 16' ' ' ILE . 66.9 mt -53.36 -47.01 58.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.279 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.1 ttm105 -59.15 -46.55 88.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.449 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 21.8 m -67.52 -39.79 85.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 11' ' ' TYR . 53.6 t -63.57 -57.21 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.582 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.474 HG12 ' O ' ' B' ' 12' ' ' ILE . 28.4 pt -57.76 -37.35 59.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.11 -54.58 35.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.727 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.543 HD12 HD11 ' A' ' 17' ' ' LEU . 68.9 mt -68.66 -36.99 76.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.196 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -58.03 -31.64 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.26 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -91.17 -51.19 5.44 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.061 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -54.98 -19.69 7.38 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -22.98 65.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.586 0.232 . . . . 0.0 111.285 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 1.6 ptp180 -115.26 -12.13 11.87 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.044 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' TRP . . . . . 0.403 ' CD1' ' HB1' ' B' ' 20' ' ' ALA . 17.7 m95 . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.009 0.433 . . . . 0.0 110.225 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.214 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.62 -40.78 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.49 -43.3 21.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.482 0.658 . . . . 0.0 109.73 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.5 m -60.36 -47.66 85.11 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.93 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 7.0 tp -66.66 -18.49 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.138 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 49.3 t -70.04 -17.82 63.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.286 0.565 . . . . 0.0 109.892 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -91.67 -27.94 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.779 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.535 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 2.9 p -91.61 -74.15 0.52 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.31 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.544 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 18.4 t70 -76.32 -34.21 59.03 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.497 0.665 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 96.37 126.04 5.04 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.528 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.1 p -95.24 142.23 27.9 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.21 165.41 13.96 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.635 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -64.18 -37.13 86.36 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 m -58.97 -39.02 80.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.051 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.9 -53.46 53.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.023 0.44 . . . . 0.0 110.781 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD11 HD12 ' B' ' 18' ' ' ILE . 2.6 pp -71.24 -33.61 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 p -66.75 -31.53 72.23 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.335 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.97 64.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.361 0.601 . . . . 0.0 109.68 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.85 -16.79 46.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.365 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.273 -179.579 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 20.1 mtt180 -111.66 110.0 20.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.14 0.495 . . . . 0.0 111.887 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' B' ' 10' ' ' GLU . 1.7 mm? -123.66 153.64 40.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 m -120.69 119.23 32.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.37 -107.77 0.35 Allowed Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.054 -0.975 . . . . 0.0 114.512 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -51.48 -37.25 48.08 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 122.994 0.517 . . . . 0.0 112.199 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.401 ' HB3' HD12 ' B' ' 6' ' ' LEU . 15.8 mm-40 -61.35 -45.48 94.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.047 0.451 . . . . 0.0 110.45 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.555 ' O ' HG23 ' B' ' 15' ' ' VAL . 40.0 t80 -70.11 -48.49 57.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.046 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.454 ' O ' HG12 ' B' ' 16' ' ' ILE . 84.1 mt -54.41 -45.08 69.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.715 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' B' ' 13' ' ' ARG . 24.9 ttm105 -59.79 -41.45 91.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.654 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -65.96 -42.17 90.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.612 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 11' ' ' TYR . 50.3 t -63.92 -56.95 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.26 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.454 HG12 ' O ' ' B' ' 12' ' ' ILE . 38.9 pt -59.28 -34.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -65.2 -54.4 30.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.721 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.724 HD12 HD11 ' A' ' 17' ' ' LEU . 94.0 mt -67.2 -42.88 88.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.265 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 77.5 m -62.65 -27.22 69.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -88.44 -52.37 5.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.058 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -52.7 -28.47 22.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -16.5 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 23' ' ' ARG . 7.1 ptp180 -120.39 3.71 10.78 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.425 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 11.9 m95 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.924 0.393 . . . . 0.0 110.565 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.115 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.8 tp -55.62 -46.31 77.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.707 0.289 . . . . 0.0 111.162 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -75.6 -38.89 58.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.233 0.54 . . . . 0.0 110.406 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -63.44 -45.45 90.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.944 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.96 -16.33 63.24 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.339 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 65.0 m -60.06 -25.42 65.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.7 0.286 . . . . 0.0 110.7 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.0 m -95.28 -38.44 10.54 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -51.28 61.99 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.504 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.607 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 10.0 t0 -128.13 -46.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 111.504 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.21 174.44 13.42 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.411 -0.9 . . . . 0.0 113.068 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p -147.79 146.58 29.22 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.52 163.52 12.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.301 0.572 . . . . 0.0 112.294 -178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.63 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.3 ttt -62.16 -49.29 76.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.767 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -57.87 -38.85 76.49 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.001 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.11 -48.87 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.54 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.724 HD11 HD12 ' B' ' 18' ' ' ILE . 3.2 pp -74.69 -28.11 60.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.705 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.7 m -65.44 -22.47 66.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.847 0.356 . . . . 0.0 110.183 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.67 -27.67 67.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.116 0.484 . . . . 0.0 109.822 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mp -82.68 -20.42 36.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 109.271 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.6 m . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.96 -179.801 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 2.2 mpt_? -110.81 95.79 5.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 110.79 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.465 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.6 mm? -107.43 122.37 46.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.786 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 m -105.03 121.77 44.47 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.4 ' HA2' ' OE1' ' A' ' 4' ' ' GLN . . . 49.7 -105.42 0.15 Allowed Glycine 0 C--N 1.335 0.483 0 CA-C-N 115.579 -0.737 . . . . 0.0 114.476 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.3 mt -52.66 -41.4 63.77 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 122.609 0.364 . . . . 0.0 111.446 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.91 -41.96 97.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.037 0.446 . . . . 0.0 110.246 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.465 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 77.0 t80 -65.95 -54.46 26.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.13 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.472 ' O ' HG12 ' B' ' 16' ' ' ILE . 59.3 mt -55.34 -47.88 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.363 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.4 ttm105 -58.83 -44.4 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.441 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.1 m -67.58 -41.36 84.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.037 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 11' ' ' TYR . 78.5 t -63.7 -54.21 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.439 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.472 HG12 ' O ' ' B' ' 12' ' ' ILE . 38.5 pt -60.96 -33.51 55.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -64.35 -50.4 67.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.462 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.12 -46.62 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.441 ' O ' ' HD2' ' B' ' 23' ' ' ARG . 92.2 m -61.57 -22.16 64.94 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 -57.66 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.342 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -54.56 -39.81 68.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -79.29 5.39 12.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' B' ' 19' ' ' CYS . 2.2 ptm85 -124.48 -10.08 7.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.7 m95 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.318 179.745 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.413 HD13 HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.39 -46.62 80.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 111.007 -179.176 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.4 ' OE1' ' HA2' ' B' ' 8' ' ' GLY . 0.0 OUTLIER -69.28 -46.94 65.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.202 0.525 . . . . 0.0 109.589 179.282 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.8 m -56.22 -47.36 78.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.636 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.558 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 10.3 tp -76.56 -14.01 60.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.173 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.518 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 52.4 t -72.83 -25.85 61.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.3 m -83.13 -25.63 31.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.284 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.558 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 1.1 p -93.42 -73.84 0.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.554 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.553 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 8.3 t70 -73.22 -55.32 6.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.547 0.689 . . . . 0.0 109.85 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 120.52 132.67 4.32 Favored Glycine 0 N--CA 1.442 -0.93 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.409 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.8 p -99.49 140.31 33.87 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.088 0.471 . . . . 0.0 109.988 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -98.11 160.63 14.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.806 -179.206 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.8 ttt -58.35 -38.08 76.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.302 0.572 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.1 -47.58 82.8 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.057 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -37.91 82.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.226 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 13' ' ' SER . 7.7 mt -71.6 -40.62 69.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.212 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -61.65 -25.19 67.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.758 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.34 -27.21 66.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.3 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD11 HD13 ' A' ' 3' ' ' LEU . 10.9 mt -88.85 -10.49 47.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.436 0.636 . . . . 0.0 109.729 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.366 -179.335 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -100.71 100.23 10.89 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 111.294 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.573 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.7 mm? -116.15 116.86 28.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 m -87.56 112.19 22.01 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.46 -101.94 0.05 OUTLIER Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.439 -0.8 . . . . 0.0 114.718 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.7 mt -51.65 -40.18 59.5 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.779 0.432 . . . . 0.0 111.835 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.33 -40.38 96.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.095 0.474 . . . . 0.0 110.254 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.521 ' O ' HG23 ' B' ' 15' ' ' VAL . 30.2 t80 -71.68 -49.28 41.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.909 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.419 ' O ' HG12 ' B' ' 16' ' ' ILE . 89.1 mt -54.3 -44.05 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.493 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 13' ' ' ARG . 23.7 ttm105 -61.67 -41.0 96.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.72 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -68.35 -41.04 81.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 11' ' ' TYR . 91.9 t -62.29 -56.69 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 12' ' ' ILE . 26.4 pt -59.78 -32.94 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -178.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -64.09 -53.02 56.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.63 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.806 HD12 HD11 ' A' ' 17' ' ' LEU . 64.6 mt -69.83 -43.89 79.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.0 m -58.9 -38.63 79.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.656 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.84 43.26 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -58.89 -35.67 73.41 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -84.26 17.56 2.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.635 0.731 . . . . 0.0 109.769 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -126.42 -38.38 2.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.955 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 60.7 m95 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.449 -179.541 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.62 -46.68 86.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 4' ' ' GLN . 5.8 mt-30 -72.34 -36.64 68.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.387 0.613 . . . . 0.0 109.85 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.8 m -64.74 -55.44 19.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.687 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 18.4 tp -68.88 -13.93 62.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 0.0 110.934 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -67.91 -18.62 64.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.09 0.472 . . . . 0.0 109.878 178.886 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.6 7.54 44.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.543 0.687 . . . . 0.0 109.643 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.8 m -130.79 -71.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.097 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.41 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 11.2 t0 -77.46 -58.85 3.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.69 155.75 10.79 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.203 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 m -117.91 137.38 52.86 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.65 166.05 15.65 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.487 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 25.9 ttt -58.17 -47.17 84.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 0.0 110.708 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -43.03 85.11 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.864 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -48.98 77.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.993 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.806 HD11 HD12 ' B' ' 18' ' ' ILE . 1.9 pp -76.87 -31.03 56.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.16 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.1 m -65.77 -20.75 66.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.747 0.308 . . . . 0.0 110.55 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.95 -27.22 68.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.07 0.462 . . . . 0.0 110.101 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.9 mt -86.72 -17.52 33.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.523 0.678 . . . . 0.0 109.533 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.6 m . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.948 -179.837 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.227 -0.131 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -112.21 105.88 14.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.875 0.369 . . . . 0.0 110.479 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.425 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.0 mm? -118.32 143.94 46.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.015 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.51 114.25 24.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.42 -101.26 0.04 OUTLIER Glycine 0 C--N 1.335 0.498 0 CA-C-N 115.693 -0.685 . . . . 0.0 114.32 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -52.97 -41.27 64.39 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.69 0.396 . . . . 0.0 111.642 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.35 -40.79 98.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.168 0.508 . . . . 0.0 110.104 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.437 ' O ' HG23 ' B' ' 15' ' ' VAL . 53.5 t80 -67.31 -52.13 44.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.887 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.462 ' O ' HG12 ' B' ' 16' ' ' ILE . 75.3 mt -56.16 -45.58 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.124 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 13' ' ' ARG . 24.5 ttm105 -59.85 -43.34 94.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.329 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 m -68.44 -38.89 81.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 11' ' ' TYR . 76.6 t -64.53 -56.2 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.462 HG12 ' O ' ' B' ' 12' ' ' ILE . 33.0 pt -59.3 -32.45 48.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.554 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.42 -49.41 75.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.001 0.429 . . . . 0.0 110.276 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.7 mt -69.6 -46.71 74.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.628 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.5 m -57.36 -38.43 74.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.923 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.52 -49.52 26.12 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.757 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 16.1 m -58.81 -34.96 72.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.843 0.354 . . . . 0.0 111.028 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -84.56 17.37 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.702 0.763 . . . . 0.0 109.82 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -126.59 -38.44 2.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.855 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 60.4 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.49 -179.596 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.098 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.38 -60.37 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.11 0.256 . . . . 0.0 111.451 -178.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -65.67 -31.48 72.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.904 0.383 . . . . 0.0 110.377 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.429 ' N ' ' HG2' ' A' ' 4' ' ' GLN . 96.9 m -64.92 -47.68 76.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.486 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.5 mt -75.73 -11.56 60.02 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.78 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 11.5 m -66.27 -25.53 66.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.895 0.379 . . . . 0.0 110.218 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.6 m -92.34 -1.24 57.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.114 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 -75.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.198 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.86 -54.46 5.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.247 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.42 179.01 15.64 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.052 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.0 131.45 23.76 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.603 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -91.1 175.14 7.06 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.7 ttt -57.97 -38.56 76.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.149 0.5 . . . . 0.0 110.715 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -46.25 88.3 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.105 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -42.08 82.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 13' ' ' SER . 1.4 mt -72.91 -40.38 65.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.656 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 m -62.15 -21.02 64.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.74 -25.23 67.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.16 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.06 -1.97 53.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.334 0.588 . . . . 0.0 109.797 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.036 -179.353 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -114.39 105.07 12.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.924 0.392 . . . . 0.0 110.807 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.432 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -119.69 137.06 54.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.348 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -116.29 115.46 25.98 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.692 -0.403 . . . . 0.0 112.075 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.53 -105.73 0.29 Allowed Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.696 -0.683 . . . . 0.0 113.967 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 92.8 mt -49.96 -47.82 52.39 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.766 0.333 . . . . 0.0 111.212 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.432 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.7 mm-40 -61.73 -37.07 82.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.432 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 74.4 t80 -68.06 -49.54 60.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.455 ' O ' HG12 ' B' ' 16' ' ' ILE . 51.9 mt -56.73 -47.37 82.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.825 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 39.3 mtm105 -60.91 -40.04 91.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.288 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.5 m -69.55 -41.75 75.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.756 0.312 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.1 t -63.85 -55.23 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.237 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.455 HG12 ' O ' ' B' ' 12' ' ' ILE . 31.0 pt -59.51 -31.33 46.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.379 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -64.11 -49.17 73.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 110.113 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.98 -45.88 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.552 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.6 m -57.73 -41.48 81.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.44 -47.58 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.838 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -57.1 -34.72 68.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.387 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.8 m -74.75 -14.07 60.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.409 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.19 -14.43 18.51 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.691 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 14.9 m95 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.976 0.417 . . . . 0.0 110.326 179.809 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.226 -0.147 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.12 -57.3 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -28.55 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.408 . . . . 0.0 110.752 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 m -68.86 -48.0 64.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.134 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 10.8 tp -69.04 -17.7 63.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 m -68.86 -18.66 64.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.914 0.388 . . . . 0.0 110.268 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.1 t -91.67 -14.97 29.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.018 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 3.6 p -106.9 -72.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.675 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.458 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 26.7 t70 -79.55 -50.12 11.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.39 0.614 . . . . 0.0 109.979 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.7 -177.67 17.23 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.589 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.98 143.04 29.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.096 0.474 . . . . 0.0 110.629 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -86.91 168.1 13.7 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.145 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.4 ttt -57.06 -37.88 72.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.292 0.567 . . . . 0.0 110.628 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -46.24 89.3 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.281 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -58.25 -41.26 83.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.211 -179.582 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -72.94 -38.3 66.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.362 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.8 m -63.59 -20.29 65.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.486 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.76 -24.92 66.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.5 mt -91.14 -5.47 55.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.396 0.617 . . . . 0.0 109.653 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 93.1 m . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.577 -179.813 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.587 0.232 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 55.5 mtt85 -122.25 103.67 8.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.17 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.418 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -112.63 120.29 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 67.4 m -102.5 116.59 32.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.45 -100.95 0.05 OUTLIER Glycine 0 C--N 1.335 0.516 0 CA-C-N 115.584 -0.735 . . . . 0.0 114.557 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.4 mt -53.1 -43.86 67.17 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 122.503 0.321 . . . . 0.0 111.34 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.36 -38.86 92.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.186 0.517 . . . . 0.0 110.161 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.418 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 35.9 t80 -66.43 -56.26 11.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.173 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.444 ' O ' HG12 ' B' ' 16' ' ' ILE . 60.9 mt -55.28 -46.36 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.357 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -58.64 -44.03 89.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.501 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 19.4 m -68.99 -39.8 79.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.98 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.3 -53.51 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.335 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.444 HG12 ' O ' ' B' ' 12' ' ' ILE . 35.9 pt -60.38 -31.86 49.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.506 0.193 . . . . 0.0 111.427 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -65.48 -52.44 52.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.59 -44.3 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.385 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.7 m -59.11 -31.48 68.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.175 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.88 -50.96 29.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 9.6 m -63.5 -15.76 58.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.712 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 56.8 m -75.42 -6.81 51.96 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.616 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -37.23 3.7 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 3.2 m95 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.253 -179.676 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.226 -0.151 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.2 tp -53.92 -47.79 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 111.624 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -76.67 -42.76 40.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.303 0.573 . . . . 0.0 110.006 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.2 m -58.96 -50.08 75.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.173 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.89 -17.9 64.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.513 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 53.2 t -67.14 -24.17 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.5 m -89.11 -40.55 12.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.055 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.56 -58.17 1.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.386 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 142.75 163.61 9.79 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.529 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 p -139.72 152.77 46.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 20.5 m -113.73 173.78 6.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.325 0.583 . . . . 0.0 111.337 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ttp -60.08 -32.45 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.806 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -49.47 76.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.954 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.88 -38.76 86.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 13' ' ' SER . 8.0 mt -70.51 -41.08 73.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.648 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -62.06 -24.64 67.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.69 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.3 -26.96 68.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.164 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.0 mt -88.28 -13.15 41.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.486 0.66 . . . . 0.0 109.694 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.8 m . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.135 -179.377 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 7' ' ' CYS . 3.9 mpt_? -118.02 93.99 4.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 111.038 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.475 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.6 mm? -110.34 124.58 51.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.553 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -100.83 114.79 28.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.12 -100.76 0.04 OUTLIER Glycine 0 C--N 1.336 0.569 0 CA-C-N 115.705 -0.68 . . . . 0.0 114.582 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 tp -53.44 -39.8 64.69 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 122.486 0.315 . . . . 0.0 111.31 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -65.01 -40.65 95.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.284 0.564 . . . . 0.0 109.768 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.516 ' CD2' ' HG2' ' A' ' 4' ' ' GLN . 53.4 t80 -66.21 -53.29 39.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.833 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.448 ' O ' HG12 ' B' ' 16' ' ' ILE . 65.9 mt -54.54 -47.09 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.125 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 13' ' ' ARG . 27.5 ttm105 -59.44 -44.63 92.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.439 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.2 m -68.03 -38.7 82.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.945 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 17' ' ' LEU . 61.8 t -64.2 -57.51 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.448 HG12 ' O ' ' B' ' 12' ' ' ILE . 31.0 pt -58.3 -32.29 44.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.526 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -63.12 -51.47 66.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.176 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.77 -47.74 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.499 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.6 m -55.19 -34.98 64.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.724 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -81.64 -53.21 6.43 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.065 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -52.51 -34.29 48.95 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.7 m -69.39 -8.42 46.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 8.5 ptp180 -121.58 1.93 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.044 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 11.5 m95 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.374 179.821 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.111 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.81 -44.76 82.31 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.516 ' HG2' ' CD2' ' B' ' 11' ' ' TYR . 9.5 mt-30 -70.44 -46.44 63.87 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.9 m -55.31 -49.25 72.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.576 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.645 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 6.1 mt -78.11 -13.24 59.94 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.497 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.456 ' O ' ' HG3' ' B' ' 5' ' ' ARG . 50.6 t -73.24 -29.14 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.248 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -82.31 -22.79 35.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.327 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.645 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -97.02 -71.9 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -74.38 -57.69 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.442 0.639 . . . . 0.0 109.51 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 126.5 141.92 5.56 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.863 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.72 132.11 56.73 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.66 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 97.6 p -99.1 177.04 5.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.037 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ttt -57.48 -35.88 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.152 0.501 . . . . 0.0 110.244 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -49.72 76.06 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.318 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.71 -38.85 82.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.523 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 13' ' ' SER . 2.6 mt -72.6 -40.92 66.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.739 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.8 m -61.7 -23.42 66.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.94 -23.1 67.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.299 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.12 1.02 49.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.27 0.557 . . . . 0.0 109.87 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.221 -179.251 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 6.4 mmt85 -84.15 92.94 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.943 0.402 . . . . 0.0 111.324 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.0 mt -112.54 101.69 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.908 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 m -85.24 112.23 20.56 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.52 -101.36 0.07 OUTLIER Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.353 -0.84 . . . . 0.0 114.721 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -50.47 -40.86 52.03 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 122.95 0.5 . . . . 0.0 112.103 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.93 -43.21 98.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 110.565 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.485 ' O ' HG23 ' B' ' 15' ' ' VAL . 28.4 t80 -69.58 -49.84 50.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.052 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -54.3 -44.61 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.9 ttm105 -60.87 -42.01 97.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.031 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -70.66 -36.23 73.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD21 ' A' ' 17' ' ' LEU . 75.6 t -62.37 -56.3 18.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 15.5 pt -61.2 -31.2 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.283 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -67.58 -54.77 17.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.698 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.69 HD12 HD22 ' A' ' 17' ' ' LEU . 71.3 mt -65.62 -44.13 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.059 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 m -58.17 -42.08 85.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.053 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.24 66.02 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 26.6 m -58.54 -39.57 80.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.314 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -73.45 -15.12 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.252 0.548 . . . . 0.0 110.405 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -89.37 -37.78 14.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.218 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 37.6 m95 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.31 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.224 -0.253 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -50.72 70.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.755 0.312 . . . . 0.0 111.412 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 5.4 mt-30 -70.75 -36.68 73.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.371 0.605 . . . . 0.0 110.308 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.0 m -66.3 -47.24 74.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.468 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 14.2 tp -67.54 -11.01 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.103 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 17.9 m -64.4 -23.41 67.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.964 0.411 . . . . 0.0 110.571 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 m -101.37 -22.29 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.511 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -82.94 -51.24 7.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.928 0.394 . . . . 0.0 110.79 179.396 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.484 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 19.6 t70 -111.15 -53.49 2.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.732 0.777 . . . . 0.0 109.504 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 118.72 136.59 5.44 Favored Glycine 0 N--CA 1.438 -1.171 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.078 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.85 139.93 30.28 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 m -104.35 170.99 7.58 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.051 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ttt -67.34 -30.35 70.15 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -57.14 14.31 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.287 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -42.25 99.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.146 0.498 . . . . 0.0 110.21 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.69 HD22 HD12 ' B' ' 18' ' ' ILE . 4.8 tt -60.41 -44.93 95.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.415 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.8 m -62.39 -34.67 77.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 0.0 110.515 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.63 -26.51 67.1 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.246 0.546 . . . . 0.0 110.093 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -82.59 -25.01 33.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.684 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.754 -179.728 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 121.345 0.593 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 95.4 mtt-85 -94.01 91.25 6.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.418 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.2 mt -106.71 110.31 22.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.823 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -98.34 115.61 28.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.976 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.8 -102.6 0.08 OUTLIER Glycine 0 C--N 1.333 0.398 0 CA-C-N 115.62 -0.718 . . . . 0.0 114.287 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.08 -42.49 65.92 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 122.536 0.334 . . . . 0.0 111.488 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.28 -38.08 89.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.09 0.472 . . . . 0.0 110.339 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.43 ' O ' HG23 ' B' ' 15' ' ' VAL . 73.7 t80 -69.9 -54.51 13.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.162 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -54.38 -45.71 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.287 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -60.86 -42.14 97.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.512 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.2 m -71.97 -37.93 69.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.965 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 11' ' ' TYR . 61.6 t -61.32 -54.41 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.572 0.225 . . . . 0.0 110.673 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 pt -60.93 -31.94 51.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.746 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -66.56 -49.5 66.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.046 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.49 -46.66 95.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.4 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.53 -41.88 86.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.769 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.97 -47.22 66.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.787 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -57.04 -35.28 69.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 111.302 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m -70.91 -19.36 62.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.306 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -18.93 21.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.505 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.324 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.086 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.3 tp -58.15 -52.92 63.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.264 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.42 ' H ' ' HG3' ' A' ' 4' ' ' GLN . 7.1 mt-30 -64.08 -39.23 93.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.409 0.624 . . . . 0.0 109.611 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -62.03 -56.67 16.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.192 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 6' ' ' LEU . 9.7 mt -64.87 -19.67 66.01 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.363 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.586 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 1.7 m -64.26 -18.3 64.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 109.934 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.9 t -106.1 -43.29 4.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.525 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -66.47 -45.61 79.14 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.243 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -111.41 -43.25 3.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 111.611 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.56 122.79 5.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.729 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 p -100.68 178.84 4.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.861 0.362 . . . . 0.0 111.34 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 p -113.13 168.31 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.625 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.8 ttm -60.12 -35.26 74.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 110.697 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -52.3 65.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.29 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.13 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.45 -39.75 94.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.511 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -67.88 -19.98 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.068 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.23 -23.55 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.059 0.457 . . . . 0.0 110.331 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.0 -9.73 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.423 0.63 . . . . 0.0 109.633 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.644 -179.624 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -113.13 91.06 3.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.933 0.397 . . . . 0.0 110.84 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.51 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.1 mm? -109.51 116.49 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.631 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 96.3 m -96.84 113.72 25.29 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.39 -100.42 0.05 OUTLIER Glycine 0 C--N 1.336 0.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.293 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.574 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 89.1 mt -49.87 -47.21 52.02 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 122.485 0.314 . . . . 0.0 111.266 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.7 mm-40 -62.27 -38.61 89.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.649 ' CD1' ' HG3' ' A' ' 4' ' ' GLN . 44.8 t80 -65.01 -49.78 68.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.429 ' O ' HG12 ' B' ' 16' ' ' ILE . 55.0 mt -57.24 -48.46 82.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.213 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 39.4 mtm105 -59.86 -43.14 94.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.494 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -67.63 -39.97 84.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.49 HG22 ' HB3' ' A' ' 17' ' ' LEU . 48.3 t -65.89 -55.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.405 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.429 HG12 ' O ' ' B' ' 12' ' ' ILE . 30.9 pt -57.55 -31.29 38.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.424 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.29 -48.49 77.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 110.122 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 72.3 mt -67.17 -50.25 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 m -62.08 -18.52 60.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.423 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -95.57 -53.15 3.84 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.054 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.8 m -54.52 -36.04 63.82 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -74.62 -5.03 40.69 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 9.1 ptp180 -115.62 -11.36 11.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.769 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.7 m95 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.349 179.653 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.225 -0.193 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.9 tp -58.42 -45.87 87.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 111.438 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.649 ' HG3' ' CD1' ' B' ' 11' ' ' TYR . 27.7 mp0 -74.73 -42.62 57.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.401 0.62 . . . . 0.0 109.715 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.3 m -61.12 -50.73 72.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.534 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 19.1 tp -63.26 -17.41 62.46 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.558 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 43.8 t -67.51 -21.43 65.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.283 0.563 . . . . 0.0 109.605 178.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.1 m -95.32 -34.14 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -73.36 -58.28 3.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.656 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -101.31 -44.85 5.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.21 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 121.69 148.75 7.91 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.413 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.2 p -125.18 140.02 53.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.096 0.448 . . . . 0.0 110.048 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.667 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 88.9 p -109.99 177.5 4.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.364 -0.38 . . . . 0.0 109.975 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.4 ttt -58.33 -31.49 67.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.249 0.547 . . . . 0.0 110.262 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -52.76 64.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.485 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -43.64 96.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.997 0.427 . . . . 0.0 110.888 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 13' ' ' SER . 2.9 mt -63.12 -50.96 68.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.139 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -66.17 -24.65 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.451 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.44 -31.76 71.3 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.727 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -83.01 -11.49 58.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.374 0.607 . . . . 0.0 109.642 179.571 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.704 179.587 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.456 -0.163 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -105.65 108.71 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.928 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.9 mm? -119.66 146.69 45.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 20.0 m -112.48 114.27 26.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.09 -98.09 0.01 OUTLIER Glycine 0 C--N 1.337 0.627 0 O-C-N 124.035 0.834 . . . . 0.0 114.506 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.8 mt -51.32 -41.42 60.51 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.662 0.385 . . . . 0.0 111.708 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -35.17 74.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -66.84 -48.5 68.7 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.425 ' O ' HG12 ' B' ' 16' ' ' ILE . 76.7 mt -60.93 -40.59 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.777 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' B' ' 9' ' ' LEU . 2.8 tpp180 -56.94 -48.23 78.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.685 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -68.95 -37.8 79.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.03 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.84 -54.48 33.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.072 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 12' ' ' ILE . 28.2 pt -61.52 -28.9 44.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.552 0.215 . . . . 0.0 110.963 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.83 -52.36 30.75 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.01 -44.79 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.348 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.57 -6.58 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.713 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -109.67 -54.74 2.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.498 0.19 . . . . 0.0 110.932 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 18.0 m -56.36 -36.42 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 25.3 m -77.9 0.26 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.646 0.26 . . . . 0.0 111.61 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 4.1 ptp180 -112.67 -17.95 12.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.421 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 17.7 m95 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 0.0 110.408 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.079 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 6.0 mt -55.08 -47.89 74.27 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.175 0.297 . . . . 0.0 111.728 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -71.21 -41.36 70.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.0 109.75 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.0 m -59.07 -52.19 66.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.645 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 7.5 mt -78.35 -8.36 58.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.29 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.584 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -69.85 -27.62 64.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.955 0.407 . . . . 0.0 110.002 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.7 m -90.54 -1.86 57.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.159 0.504 . . . . 0.0 110.167 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.482 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.97 -72.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.638 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -82.51 -55.24 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.882 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.37 172.56 13.47 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.848 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.7 m -129.22 138.29 51.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.759 0.314 . . . . 0.0 110.365 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.74 169.27 9.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.717 0.294 . . . . 0.0 111.051 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.2 tpt -53.8 -49.91 67.29 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.223 0.535 . . . . 0.0 111.035 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -48.48 73.07 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.72 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -42.46 84.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.504 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.61 -37.97 70.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.723 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 m -65.65 -19.63 65.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.12 -22.47 65.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.086 0.469 . . . . 0.0 110.37 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.99 -4.06 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.711 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.682 -179.553 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 5.3 mpt_? -102.01 110.4 22.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.978 0.418 . . . . 0.0 111.174 -179.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.469 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -124.13 128.94 50.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.088 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 m -108.66 119.46 39.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.58 -108.18 0.65 Allowed Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.363 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 18.3 tp -54.28 -39.11 66.59 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 122.475 0.31 . . . . 0.0 111.352 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -63.94 -39.82 95.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.148 0.499 . . . . 0.0 109.985 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' TYR . . . . . 0.469 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 46.8 t80 -69.66 -53.06 20.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.943 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -51.96 -45.35 40.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.887 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' B' ' 13' ' ' ARG . 27.9 ttm105 -61.44 -42.61 99.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.295 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m -69.21 -37.58 78.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.781 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.1 t -63.02 -58.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.71 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 21.4 pt -57.38 -30.9 36.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.437 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -63.82 -47.46 80.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.194 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.7 -49.76 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.655 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 m -59.82 -40.72 89.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.474 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.07 -45.8 72.81 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.886 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 23.9 m -59.7 -37.71 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.726 0.298 . . . . 0.0 111.08 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.7 m -74.1 -13.38 60.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.345 0.593 . . . . 0.0 110.43 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -91.76 -37.51 12.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.158 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 24.9 m95 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.407 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.225 -0.199 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.405 ' CD2' HD13 ' A' ' 20' ' ' LEU . 68.6 tp -58.05 -55.3 36.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.566 0.222 . . . . 0.0 110.943 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -37.33 87.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.286 0.565 . . . . 0.0 110.204 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.5 m -65.42 -52.17 55.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.639 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 9.5 tp -68.37 -21.37 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.741 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 5.4 m -67.69 -17.03 64.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.92 0.391 . . . . 0.0 110.076 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.55 -25.33 19.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.882 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.451 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 5.4 p -96.35 -74.88 0.55 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.17 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.24 -44.69 44.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.362 0.601 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.78 175.67 24.75 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.836 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -142.05 158.63 43.54 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.43 174.07 6.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.5 ttt -56.04 -35.61 67.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.354 0.597 . . . . 0.0 110.793 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -49.13 78.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.548 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -48.66 78.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.041 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.83 -42.34 97.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.991 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -68.79 -26.37 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.613 0.244 . . . . 0.0 110.364 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.74 65.21 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' A' ' 3' ' ' LEU . 14.6 tp -72.83 -23.04 60.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.823 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.795 179.743 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.025 0.44 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' B' ' 2' ' ' GLU . 40.6 tp10 -127.41 121.63 31.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.288 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.442 ' HB3' ' C ' ' A' ' 12' ' ' CYS . 4.4 m -142.97 179.15 7.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.28 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.25 144.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -102.56 103.94 14.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.906 0.384 . . . . 0.0 110.829 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.9 mm? -113.6 133.72 55.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.55 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 m -114.68 114.5 25.73 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.45 -105.16 0.26 Allowed Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.694 -0.685 . . . . 0.0 114.239 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.17 -42.22 65.98 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 122.611 0.365 . . . . 0.0 111.564 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.47 -39.25 92.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.143 0.497 . . . . 0.0 110.36 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.415 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 83.3 t80 -69.92 -54.49 13.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.228 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.464 ' O ' HG12 ' B' ' 16' ' ' ILE . 68.1 mt -53.24 -46.38 56.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.165 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.8 ttm105 -59.24 -43.75 92.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.412 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.2 m -68.8 -39.43 80.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.111 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.37 -53.21 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.415 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 12' ' ' ILE . 37.9 pt -60.41 -31.46 48.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.53 0.205 . . . . 0.0 111.221 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -64.08 -49.5 72.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.086 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -67.31 -45.35 86.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.519 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -58.3 -41.76 85.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.27 -48.02 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.723 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -56.63 -36.72 69.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.286 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.0 m -72.87 -19.31 61.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.343 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -17.97 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -88.83 -50.63 6.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.254 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.448 -0.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 121.079 0.466 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.42 153.07 37.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.355 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -55.53 -45.87 77.13 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.73 0.412 . . . . 0.0 111.756 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -76.2 -39.81 53.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.39 0.614 . . . . 0.0 109.955 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.5 m -61.84 -52.88 62.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.118 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.83 -9.57 58.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.237 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -68.6 -20.35 64.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.051 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.0 t -92.56 13.3 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.648 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -138.17 -68.99 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.966 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -77.04 -62.03 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.456 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.48 152.49 9.3 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' C ' ' HB3' ' B' ' 3' ' ' SER . 4.9 m -116.67 140.08 49.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.889 0.376 . . . . 0.0 110.212 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.58 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -89.68 163.84 14.96 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.3 ttm -57.6 -42.44 83.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.492 . . . . 0.0 111.019 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.39 -42.45 91.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.225 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -37.37 82.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.154 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 13' ' ' SER . 7.6 mt -70.64 -36.66 73.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.102 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -64.52 -29.85 70.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.023 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -22.67 62.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.238 0.542 . . . . 0.0 109.762 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 tp -88.07 -17.24 31.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.406 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.4 m -83.16 64.94 7.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.754 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.437 -0.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.442 ' HG3' ' OG ' ' B' ' 3' ' ' SER . 12.7 pttp . . . . . 0 C--O 1.235 0.296 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.528 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -83.06 64.72 7.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.418 0.628 . . . . 0.0 110.335 -179.635 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.442 ' OG ' ' HG3' ' B' ' 1' ' ' LYS . 13.4 m -81.87 112.33 18.9 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.531 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.418 ' HB ' ' CD2' ' B' ' 6' ' ' LEU . 2.7 t -102.01 160.58 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 8.6 mpt_? -94.47 88.42 5.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.009 0.433 . . . . 0.0 111.972 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.45 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 1.3 mm? -107.79 105.82 15.83 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 m -100.32 119.49 38.5 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.23 -106.16 0.69 Allowed Glycine 0 C--N 1.334 0.438 0 CA-C-N 115.595 -0.729 . . . . 0.0 114.126 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.32 -41.03 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.531 0.332 . . . . 0.0 111.439 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.49 -40.3 95.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.577 ' CE2' ' HG2' ' A' ' 4' ' ' GLN . 55.4 t80 -67.25 -54.18 23.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.0 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.451 ' O ' HG12 ' B' ' 16' ' ' ILE . 66.6 mt -54.61 -48.55 71.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.339 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.8 ttm105 -58.12 -43.62 87.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.633 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -69.88 -40.98 75.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.323 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.04 -50.8 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.523 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.451 HG12 ' O ' ' B' ' 12' ' ' ILE . 37.5 pt -62.51 -31.86 53.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.0 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -65.21 -50.64 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.216 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.1 mt -64.78 -47.46 88.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.5 m -57.82 -41.97 83.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.05 -49.09 60.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -56.09 -36.98 68.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.701 0.286 . . . . 0.0 111.461 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.4 m -72.61 -19.23 61.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.57 -18.17 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.536 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -88.59 -50.58 6.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.239 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.446 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 121.128 0.49 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.12 156.85 19.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.152 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.94 -42.84 80.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.304 . . . . 0.0 111.693 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' B' ' 11' ' ' TYR . 5.3 mt-30 -76.75 -43.56 36.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.496 0.665 . . . . 0.0 109.708 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.4 m -60.74 -49.44 77.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.976 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 11.1 tp -66.59 -20.05 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.181 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 47.7 t -67.24 -17.9 65.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.1 0.476 . . . . 0.0 110.152 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -90.9 -19.9 22.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.981 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.428 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 3.5 p -102.12 -74.57 0.62 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.199 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 29.6 t70 -79.73 -26.4 40.82 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 109.951 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 91.87 143.4 11.95 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.079 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.36 133.77 47.87 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -87.28 158.89 18.97 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.576 -178.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.5 ttp -63.16 -36.23 82.93 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -57.29 -47.07 82.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.961 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.81 -44.37 94.02 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.999 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 13' ' ' SER . 12.8 mt -64.69 -37.73 88.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -63.11 -35.83 81.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.214 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.37 -24.48 64.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.268 0.556 . . . . 0.0 110.042 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -86.02 -22.27 27.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.633 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 m -86.39 62.53 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.69 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.404 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.861 0.362 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -87.05 56.35 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.368 0.604 . . . . 0.0 109.979 179.639 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -81.55 119.51 23.86 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.061 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 t -120.23 158.2 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.563 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 25.1 mtt180 -99.07 101.4 12.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.232 0.539 . . . . 0.0 111.423 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.423 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.7 mm? -108.47 116.59 32.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.306 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.7 m -102.03 114.87 29.37 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.49 -102.02 0.1 OUTLIER Glycine 0 C--N 1.336 0.537 0 CA-C-N 115.692 -0.685 . . . . 0.0 114.257 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.19 -41.21 65.03 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.524 0.33 . . . . 0.0 111.475 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.98 -40.17 96.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.132 0.491 . . . . 0.0 110.278 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.539 ' CE2' ' HG2' ' A' ' 4' ' ' GLN . 61.6 t80 -68.33 -55.64 11.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.881 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -52.18 -45.34 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.249 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.7 ttm105 -60.74 -40.52 92.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.173 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -70.21 -39.92 74.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.67 -53.34 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 25.1 pt -61.07 -31.19 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.7 0.286 . . . . 0.0 110.899 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -67.55 -50.32 59.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.058 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.91 -43.81 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.34 -22.45 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.45 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -92.62 -46.78 7.43 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.153 -0.219 . . . . 0.0 110.594 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.5 m -53.99 -28.95 41.03 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -17.31 64.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 11.2 ptp180 -110.91 0.47 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.985 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -107.85 -42.39 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.431 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.455 -0.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 121.041 0.448 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.35 158.37 22.19 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.1 tp -58.26 -54.22 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.792 0.269 . . . . 0.0 111.103 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.539 ' HG2' ' CE2' ' B' ' 11' ' ' TYR . 3.2 mt-30 -63.59 -38.96 93.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.411 0.624 . . . . 0.0 109.855 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -63.82 -54.77 29.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.553 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.73 -23.94 66.47 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.066 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 50.6 m -58.47 -26.02 62.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 109.927 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 t -99.14 -39.86 8.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.643 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -62.28 -47.23 85.26 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.571 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.563 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 8.3 t0 -130.4 -44.69 1.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.32 158.69 9.25 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.415 -0.898 . . . . 0.0 113.227 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 m -136.48 152.32 50.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' B' ' 2' ' ' GLU . 0.8 OUTLIER -91.89 163.18 14.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.072 0.463 . . . . 0.0 111.563 -179.034 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.1 ttm -65.71 -42.72 90.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.379 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -59.71 -42.4 92.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.847 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.54 -45.89 84.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.256 0.551 . . . . 0.0 109.787 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.15 -35.35 79.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.429 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -64.84 -35.73 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.184 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -26.02 66.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.15 0.5 . . . . 0.0 110.04 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -82.18 -24.84 34.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.41 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.82 57.87 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.757 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.402 -0.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.833 0.349 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -87.67 58.61 4.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.337 0.589 . . . . 0.0 109.803 179.533 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -83.08 118.11 23.32 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.043 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.59 161.57 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.586 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 36.6 mtt180 -105.66 96.37 6.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.202 0.525 . . . . 0.0 111.848 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.416 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.7 mm? -109.14 123.76 49.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.978 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 16.2 m -104.68 117.21 33.53 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.12 -101.16 0.05 OUTLIER Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.469 -0.787 . . . . 0.0 114.248 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 51.0 tp -50.74 -41.31 56.28 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.714 0.406 . . . . 0.0 111.292 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.8 -38.44 79.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.502 ' O ' HG23 ' B' ' 15' ' ' VAL . 60.0 t80 -65.25 -50.37 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.3 -43.77 86.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.274 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' B' ' 9' ' ' LEU . 0.0 OUTLIER -60.11 -39.64 86.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.913 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.9 m -69.87 -42.5 73.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 11' ' ' TYR . 95.6 t -61.27 -52.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.155 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.48 -31.22 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.617 0.246 . . . . 0.0 111.014 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.25 -46.91 69.19 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.94 -44.9 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.215 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 m -59.3 -37.86 78.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.778 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.26 70.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.196 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.0 m -60.52 -38.35 84.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -68.86 -18.43 64.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.239 0.542 . . . . 0.0 110.517 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -90.91 -37.6 13.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.626 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -79.09 -45.96 19.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.148 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.699 -0.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 121.118 0.485 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.4 156.55 22.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.035 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -50.05 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.012 0.434 . . . . 0.0 110.816 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.424 HE21 ' HB3' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -68.41 -44.48 74.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.994 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.5 m -59.65 -56.65 19.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.866 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.38 -22.33 66.82 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.823 -0.171 . . . . 0.0 111.426 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.557 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 49.4 t -63.58 -23.41 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 t -97.23 -39.84 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.292 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -46.42 84.76 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.177 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.586 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 10.5 t0 -127.77 -50.22 1.36 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.411 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.14 158.07 7.5 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.183 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.8 p -136.78 140.97 42.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' B' ' 2' ' ' GLU . 0.9 OUTLIER -91.07 159.19 16.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.309 0.576 . . . . 0.0 112.358 -177.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.5 ttt -63.61 -44.97 92.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.2 p -58.07 -43.45 86.95 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.231 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.77 -44.08 85.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.344 0.593 . . . . 0.0 109.759 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.43 -33.86 71.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.69 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.3 m -64.99 -26.01 68.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.741 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.31 -27.56 68.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.097 0.475 . . . . 0.0 110.318 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mt -88.35 -18.8 27.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.613 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 m -104.84 43.96 1.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.951 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.459 ' HB3' ' OD2' ' A' ' 10' ' ' ASP . 1.3 ttpm? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -57.06 122.66 12.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.043 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 1.1 p -165.76 -170.37 1.77 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.569 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m -82.55 139.01 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.446 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 5.0 mpt_? -101.9 106.76 17.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.94 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 10.9 mt -119.87 125.38 48.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.552 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 50.5 m -99.51 113.78 26.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.444 ' O ' HG12 ' B' ' 12' ' ' ILE . . . 49.1 -100.97 0.04 OUTLIER Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.544 -0.753 . . . . 0.0 114.537 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 95.2 mt -52.89 -40.74 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.505 0.322 . . . . 0.0 111.756 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.94 -38.54 91.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.269 0.556 . . . . 0.0 110.018 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -68.73 -48.76 62.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.094 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.444 HG12 ' O ' ' B' ' 8' ' ' GLY . 30.5 mm -56.22 -47.03 81.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -44.59 95.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.57 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -66.49 -42.03 88.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.384 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 70.2 t -62.79 -55.47 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.266 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.433 HG12 ' O ' ' B' ' 12' ' ' ILE . 29.1 pt -60.08 -30.49 45.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.5 0.191 . . . . 0.0 111.473 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.95 -51.21 60.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.308 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 72.6 mt -67.03 -44.61 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.7 m -61.95 -24.76 67.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.271 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -89.73 -54.02 4.25 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.947 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -52.8 -27.42 18.01 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -18.38 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 7.6 ptp180 -119.28 0.83 11.24 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.187 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -112.49 72.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 110.212 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.261 -0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 121.033 0.444 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.09 158.77 18.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.73 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.2 tp -56.92 -39.85 75.23 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.58 -36.43 22.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 110.062 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -66.05 -48.84 69.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.882 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.583 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 20.4 tp -69.54 -8.24 45.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.989 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -69.14 -22.58 63.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.993 0.425 . . . . 0.0 110.043 179.278 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.8 m -94.03 -30.54 14.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.95 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.583 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -77.92 -55.6 5.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.152 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' B' ' 1' ' ' LYS . 23.8 t70 -105.44 -60.3 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.146 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.64 175.16 13.85 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.628 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.522 ' O ' ' HB2' ' B' ' 3' ' ' SER . 39.1 m -131.82 139.45 48.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.885 0.374 . . . . 0.0 110.811 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -92.98 161.62 14.38 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.151 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.0 ttt -56.8 -38.46 72.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.329 0.585 . . . . 0.0 110.755 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.74 -46.39 89.3 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.37 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -41.24 85.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.627 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 13' ' ' SER . 0.7 OUTLIER -72.32 -41.11 66.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.294 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.8 m -62.26 -21.03 64.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.765 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.35 -24.7 65.74 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.981 0.42 . . . . 0.0 110.07 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.64 -5.37 53.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.454 0.645 . . . . 0.0 109.597 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.62 -16.1 27.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.269 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.841 0.353 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.56 148.03 43.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.553 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 63.5 m -157.28 -162.72 1.25 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.441 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.1 m -79.95 119.97 30.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.062 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 20.7 mmt180 -80.36 75.86 7.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.575 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.422 ' HB3' ' CA ' ' B' ' 11' ' ' TYR . 55.1 mt -90.33 102.45 15.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.505 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -98.88 115.33 28.61 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.649 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.507 ' HA2' ' OE1' ' A' ' 4' ' ' GLN . . . 56.31 -107.39 0.86 Allowed Glycine 0 C--N 1.33 0.224 0 CA-C-N 115.6 -0.727 . . . . 0.0 114.108 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 17.5 tp -53.4 -37.84 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.527 0.331 . . . . 0.0 111.659 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -62.79 -42.14 99.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.107 0.48 . . . . 0.0 110.212 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.422 ' CA ' ' HB3' ' B' ' 6' ' ' LEU . 86.2 t80 -68.52 -52.61 30.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.996 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -53.76 -48.46 61.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.384 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 13' ' ' ARG . 29.3 ttm105 -60.04 -44.12 94.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.842 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -70.99 -37.46 72.71 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.199 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.65 -53.52 45.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.484 0.183 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 20.1 pt -61.32 -31.79 51.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.624 0.25 . . . . 0.0 110.745 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -67.66 -49.65 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.207 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.64 -47.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.631 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.3 m -58.9 -40.88 85.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.027 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.88 63.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.697 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -56.33 -37.7 70.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.323 . . . . 0.0 111.355 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.2 m -72.52 -18.81 61.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.353 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -18.57 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.716 0.293 . . . . 0.0 110.562 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -88.49 -50.33 6.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.899 0.381 . . . . 0.0 110.279 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.443 -0.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 121.123 0.487 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.29 154.86 22.71 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -56.86 -51.9 67.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.493 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.507 ' OE1' ' HA2' ' B' ' 8' ' ' GLY . 0.1 OUTLIER -62.74 -40.92 98.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.422 0.63 . . . . 0.0 110.172 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -65.67 -51.44 59.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.72 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 14.3 tp -63.04 -18.56 63.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.609 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 18.3 m -64.62 -18.29 64.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.248 0.547 . . . . 0.0 110.079 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -103.56 -36.85 7.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.345 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -48.75 58.83 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.763 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 23.8 t70 -114.78 -44.53 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.134 0.492 . . . . 0.0 110.852 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.95 141.22 8.63 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.182 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' B' ' 3' ' ' SER . 5.6 p -122.44 161.65 23.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.72 0.295 . . . . 0.0 110.508 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.5 p -107.18 176.28 5.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.7 ttt -59.15 -34.36 72.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.21 0.529 . . . . 0.0 110.253 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -50.06 74.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.354 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.84 -42.11 92.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.372 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.33 -41.91 88.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.009 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.8 m -65.78 -20.88 66.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.71 -23.85 66.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.93 0.395 . . . . 0.0 110.585 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -93.04 -10.06 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.344 0.592 . . . . 0.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.6 m -89.63 63.66 6.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.668 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.361 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 17.4 pttt . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -81.09 168.4 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.469 ' HB2' ' HA3' ' A' ' 11' ' ' GLY . 10.8 p -137.6 106.85 6.06 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.043 -0.663 . . . . 0.0 112.024 -178.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 12' ' ' CYS . 18.8 m -105.64 144.54 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.59 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 3.6 mpt_? -93.62 89.03 6.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.14 0.495 . . . . 0.0 111.572 -178.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.9 mt -108.66 102.09 11.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.657 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.3 m -86.86 112.91 22.21 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.56 -101.8 0.06 OUTLIER Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.497 -0.774 . . . . 0.0 114.34 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.571 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 45.8 tp -47.61 -45.1 27.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.015 0.526 . . . . 0.0 111.905 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.445 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.6 mm-40 -59.98 -40.36 88.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.759 0.314 . . . . 0.0 111.375 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.458 ' O ' HG23 ' B' ' 15' ' ' VAL . 60.7 t80 -70.03 -45.0 68.11 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.415 ' O ' HG12 ' B' ' 16' ' ' ILE . 68.4 mt -57.34 -47.67 84.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.866 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 41.9 mtm105 -60.16 -39.06 85.06 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -69.79 -41.45 75.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.6 t -64.12 -54.71 28.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 12' ' ' ILE . 29.5 pt -59.91 -31.67 48.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.785 -0.189 . . . . 0.0 111.421 -178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -64.68 -54.89 24.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.444 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.502 HD12 ' CD1' ' A' ' 17' ' ' LEU . 18.4 mt -67.76 -40.97 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -57.07 -43.91 82.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.706 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.87 65.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.962 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 44.3 m -58.25 -38.91 77.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.636 0.255 . . . . 0.0 111.335 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -73.67 -14.13 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.405 0.621 . . . . 0.0 110.459 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -92.36 -37.86 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.335 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -81.11 -45.64 16.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.621 -0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.075 0.464 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.22 152.31 38.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.747 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.83 -51.83 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.992 0.182 . . . . 0.0 111.306 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -62.6 -42.8 99.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.396 0.617 . . . . 0.0 109.553 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -59.03 -43.56 91.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.78 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.564 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 1.4 tp -74.97 -22.44 58.55 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.51 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.59 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 46.3 m -63.96 -28.32 69.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.998 0.428 . . . . 0.0 110.52 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.2 m -86.66 -22.03 26.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.459 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.564 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -100.43 -74.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.66 -44.14 82.66 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.401 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.469 ' HA3' ' HB2' ' B' ' 3' ' ' SER . . . 90.84 101.82 1.22 Allowed Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' O ' HG22 ' B' ' 4' ' ' VAL . 1.7 p -70.42 155.72 40.31 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.398 0.618 . . . . 0.0 111.927 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -105.99 162.51 13.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.986 -1.007 . . . . 0.0 108.958 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.411 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 48.5 ttp -57.53 -35.63 70.54 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -44.47 96.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.104 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.78 -49.8 75.4 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.626 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD1' HD12 ' B' ' 18' ' ' ILE . 0.6 OUTLIER -72.33 -25.46 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.392 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 m -67.99 -32.13 72.31 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.17 -23.03 62.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.339 0.59 . . . . 0.0 109.676 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 tp -85.22 -21.19 29.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.326 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -88.05 61.74 6.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.556 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.433 -0.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.517 ' HD2' ' OG ' ' A' ' 13' ' ' SER . 37.8 pttt . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -89.56 70.3 7.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.466 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.87 96.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.318 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.83 160.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 8.2 mpt_? -101.56 87.69 3.24 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.46 ' HB3' ' CA ' ' B' ' 11' ' ' TYR . 1.7 mm? -107.77 103.33 12.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 m -101.28 117.29 34.68 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.26 -106.41 0.73 Allowed Glycine 0 C--N 1.333 0.415 0 CA-C-N 115.597 -0.729 . . . . 0.0 114.021 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.56 -41.01 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.498 0.319 . . . . 0.0 111.569 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -63.9 -38.22 90.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.113 0.482 . . . . 0.0 110.393 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.46 ' CA ' ' HB3' ' B' ' 6' ' ' LEU . 86.5 t80 -70.83 -54.23 12.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.014 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.474 ' O ' HG12 ' B' ' 16' ' ' ILE . 66.9 mt -53.36 -47.01 58.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.279 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.1 ttm105 -59.15 -46.55 88.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.449 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 21.8 m -67.52 -39.79 85.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 11' ' ' TYR . 53.6 t -63.57 -57.21 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.582 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.474 HG12 ' O ' ' B' ' 12' ' ' ILE . 28.4 pt -57.76 -37.35 59.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.11 -54.58 35.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.727 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.543 HD12 HD11 ' A' ' 17' ' ' LEU . 68.9 mt -68.66 -36.99 76.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.196 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -58.03 -31.64 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.26 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -91.17 -51.19 5.44 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.061 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -54.98 -19.69 7.38 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -22.98 65.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.586 0.232 . . . . 0.0 111.285 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 1.6 ptp180 -115.26 -12.13 11.87 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.044 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' TRP . . . . . 0.403 ' CD1' ' HB1' ' B' ' 20' ' ' ALA . 17.7 m95 -102.27 70.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.009 0.433 . . . . 0.0 110.225 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 121.082 0.468 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.99 158.06 18.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.326 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.62 -40.78 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.49 -43.3 21.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.482 0.658 . . . . 0.0 109.73 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.5 m -60.36 -47.66 85.11 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.93 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 7.0 tp -66.66 -18.49 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.138 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 49.3 t -70.04 -17.82 63.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.286 0.565 . . . . 0.0 109.892 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -91.67 -27.94 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.779 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.535 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 2.9 p -91.61 -74.15 0.52 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.31 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.544 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 18.4 t70 -76.32 -34.21 59.03 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.497 0.665 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 96.37 126.04 5.04 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.528 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.1 p -95.24 142.23 27.9 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -90.21 165.41 13.96 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.635 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -64.18 -37.13 86.36 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 m -58.97 -39.02 80.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.051 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.9 -53.46 53.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.023 0.44 . . . . 0.0 110.781 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.543 HD11 HD12 ' B' ' 18' ' ' ILE . 2.6 pp -71.24 -33.61 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 p -66.75 -31.53 72.23 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.335 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.97 64.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.361 0.601 . . . . 0.0 109.68 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.85 -16.79 46.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.365 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 m -84.01 44.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.273 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.531 -0.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.836 0.351 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -88.15 55.38 3.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.466 0.651 . . . . 0.0 109.767 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.4 m -83.88 124.31 30.84 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.259 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -121.45 164.52 18.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.444 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 20.1 mtt180 -111.66 110.0 20.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.14 0.495 . . . . 0.0 111.887 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' B' ' 10' ' ' GLU . 1.7 mm? -123.66 153.64 40.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 m -120.69 119.23 32.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.37 -107.77 0.35 Allowed Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.054 -0.975 . . . . 0.0 114.512 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -51.48 -37.25 48.08 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 122.994 0.517 . . . . 0.0 112.199 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.401 ' HB3' HD12 ' B' ' 6' ' ' LEU . 15.8 mm-40 -61.35 -45.48 94.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.047 0.451 . . . . 0.0 110.45 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.555 ' O ' HG23 ' B' ' 15' ' ' VAL . 40.0 t80 -70.11 -48.49 57.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.046 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.454 ' O ' HG12 ' B' ' 16' ' ' ILE . 84.1 mt -54.41 -45.08 69.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.715 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' B' ' 13' ' ' ARG . 24.9 ttm105 -59.79 -41.45 91.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.654 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -65.96 -42.17 90.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.612 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 11' ' ' TYR . 50.3 t -63.92 -56.95 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.26 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.454 HG12 ' O ' ' B' ' 12' ' ' ILE . 38.9 pt -59.28 -34.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -65.2 -54.4 30.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.721 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.724 HD12 HD11 ' A' ' 17' ' ' LEU . 94.0 mt -67.2 -42.88 88.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.265 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 77.5 m -62.65 -27.22 69.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -88.44 -52.37 5.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.058 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -52.7 -28.47 22.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -16.5 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 23' ' ' ARG . 7.1 ptp180 -120.39 3.71 10.78 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.425 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -113.69 -37.64 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.924 0.393 . . . . 0.0 110.565 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.631 -0.259 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.055 0.455 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.8 154.9 23.27 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.126 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.8 tp -55.62 -46.31 77.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.707 0.289 . . . . 0.0 111.162 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -75.6 -38.89 58.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.233 0.54 . . . . 0.0 110.406 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -63.44 -45.45 90.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.944 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.96 -16.33 63.24 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.339 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 65.0 m -60.06 -25.42 65.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.7 0.286 . . . . 0.0 110.7 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.0 m -95.28 -38.44 10.54 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -51.28 61.99 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.504 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.607 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 10.0 t0 -128.13 -46.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 111.504 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.21 174.44 13.42 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.411 -0.9 . . . . 0.0 113.068 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p -147.79 146.58 29.22 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' B' ' 2' ' ' GLU . 0.8 OUTLIER -98.52 163.52 12.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.301 0.572 . . . . 0.0 112.294 -178.547 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.63 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.3 ttt -62.16 -49.29 76.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.767 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -57.87 -38.85 76.49 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.001 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.11 -48.87 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.54 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.724 HD11 HD12 ' B' ' 18' ' ' ILE . 3.2 pp -74.69 -28.11 60.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.705 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.7 m -65.44 -22.47 66.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.847 0.356 . . . . 0.0 110.183 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.67 -27.67 67.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.116 0.484 . . . . 0.0 109.822 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mp -82.68 -20.42 36.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 109.271 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.6 m -76.95 -39.77 49.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.96 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.434 -0.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.501 ' HA ' ' OE1' ' B' ' 2' ' ' GLU . 6.3 tp10 -125.09 138.99 54.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -138.13 -171.97 3.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.386 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 t -102.68 156.27 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 2.2 mpt_? -110.81 95.79 5.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 110.79 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.465 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.6 mm? -107.43 122.37 46.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.786 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 m -105.03 121.77 44.47 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.4 ' HA2' ' OE1' ' A' ' 4' ' ' GLN . . . 49.7 -105.42 0.15 Allowed Glycine 0 C--N 1.335 0.483 0 CA-C-N 115.579 -0.737 . . . . 0.0 114.476 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.3 mt -52.66 -41.4 63.77 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 122.609 0.364 . . . . 0.0 111.446 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.91 -41.96 97.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.037 0.446 . . . . 0.0 110.246 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.465 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 77.0 t80 -65.95 -54.46 26.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.13 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.472 ' O ' HG12 ' B' ' 16' ' ' ILE . 59.3 mt -55.34 -47.88 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.363 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.4 ttm105 -58.83 -44.4 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.441 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.1 m -67.58 -41.36 84.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.037 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 11' ' ' TYR . 78.5 t -63.7 -54.21 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.439 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.472 HG12 ' O ' ' B' ' 12' ' ' ILE . 38.5 pt -60.96 -33.51 55.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -64.35 -50.4 67.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.462 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.12 -46.62 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.441 ' O ' ' HD2' ' B' ' 23' ' ' ARG . 92.2 m -61.57 -22.16 64.94 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 -57.66 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.342 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -54.56 -39.81 68.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -79.29 5.39 12.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' B' ' 19' ' ' CYS . 2.2 ptm85 -124.48 -10.08 7.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -94.89 72.41 3.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.318 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.348 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 121.114 0.483 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.55 150.02 32.93 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.806 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.413 HD13 HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.39 -46.62 80.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 111.007 -179.176 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' OE1' ' HA2' ' B' ' 8' ' ' GLY . 0.0 OUTLIER -69.28 -46.94 65.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.202 0.525 . . . . 0.0 109.589 179.282 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.8 m -56.22 -47.36 78.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.636 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.558 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 10.3 tp -76.56 -14.01 60.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.173 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.518 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 52.4 t -72.83 -25.85 61.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.3 m -83.13 -25.63 31.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.284 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.558 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 1.1 p -93.42 -73.84 0.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.554 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.553 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 8.3 t70 -73.22 -55.32 6.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.547 0.689 . . . . 0.0 109.85 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 120.52 132.67 4.32 Favored Glycine 0 N--CA 1.442 -0.93 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.409 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.8 p -99.49 140.31 33.87 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.088 0.471 . . . . 0.0 109.988 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -98.11 160.63 14.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.806 -179.206 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.8 ttt -58.35 -38.08 76.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.302 0.572 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.1 -47.58 82.8 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.057 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -37.91 82.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.226 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 13' ' ' SER . 7.7 mt -71.6 -40.62 69.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.212 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -61.65 -25.19 67.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.758 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.34 -27.21 66.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.3 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD11 HD13 ' A' ' 3' ' ' LEU . 10.9 mt -88.85 -10.49 47.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.436 0.636 . . . . 0.0 109.729 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.2 m -82.28 -24.26 34.81 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.366 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.688 0.28 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.476 ' HA ' ' OE1' ' B' ' 2' ' ' GLU . 19.2 tp10 -81.21 133.97 35.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.067 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.544 ' HB3' ' C ' ' A' ' 12' ' ' CYS . 6.5 m -142.54 178.03 7.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.347 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.01 144.35 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -100.71 100.23 10.89 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 111.294 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.573 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.7 mm? -116.15 116.86 28.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 m -87.56 112.19 22.01 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.46 -101.94 0.05 OUTLIER Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.439 -0.8 . . . . 0.0 114.718 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.7 mt -51.65 -40.18 59.5 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.779 0.432 . . . . 0.0 111.835 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.33 -40.38 96.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.095 0.474 . . . . 0.0 110.254 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.521 ' O ' HG23 ' B' ' 15' ' ' VAL . 30.2 t80 -71.68 -49.28 41.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.909 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.419 ' O ' HG12 ' B' ' 16' ' ' ILE . 89.1 mt -54.3 -44.05 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.493 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 13' ' ' ARG . 23.7 ttm105 -61.67 -41.0 96.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.72 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -68.35 -41.04 81.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 11' ' ' TYR . 91.9 t -62.29 -56.69 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 12' ' ' ILE . 26.4 pt -59.78 -32.94 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -178.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -64.09 -53.02 56.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.63 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.806 HD12 HD11 ' A' ' 17' ' ' LEU . 64.6 mt -69.83 -43.89 79.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.0 m -58.9 -38.63 79.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.656 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.84 43.26 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -58.89 -35.67 73.41 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -84.26 17.56 2.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.635 0.731 . . . . 0.0 109.769 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -126.42 -38.38 2.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.955 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -92.26 74.26 5.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.449 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.336 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 121.157 0.504 . . . . 0.0 111.578 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.21 152.45 26.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.2 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.62 -46.68 86.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 4' ' ' GLN . 5.8 mt-30 -72.34 -36.64 68.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.387 0.613 . . . . 0.0 109.85 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.8 m -64.74 -55.44 19.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.687 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 18.4 tp -68.88 -13.93 62.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 0.0 110.934 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -67.91 -18.62 64.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.09 0.472 . . . . 0.0 109.878 178.886 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.6 7.54 44.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.543 0.687 . . . . 0.0 109.643 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.8 m -130.79 -71.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.097 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.41 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 11.2 t0 -77.46 -58.85 3.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.69 155.75 10.79 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.203 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.544 ' C ' ' HB3' ' B' ' 3' ' ' SER . 4.0 m -117.91 137.38 52.86 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.65 166.05 15.65 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.487 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 25.9 ttt -58.17 -47.17 84.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 0.0 110.708 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -43.03 85.11 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.864 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -48.98 77.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.993 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.806 HD11 HD12 ' B' ' 18' ' ' ILE . 1.9 pp -76.87 -31.03 56.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.16 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.1 m -65.77 -20.75 66.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.747 0.308 . . . . 0.0 110.55 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.95 -27.22 68.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.07 0.462 . . . . 0.0 110.101 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.9 mt -86.72 -17.52 33.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.523 0.678 . . . . 0.0 109.533 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.6 m -81.2 -38.57 26.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.948 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.436 -0.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.975 0.416 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -58.97 124.03 18.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.1 -170.98 3.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.914 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.95 148.33 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -112.21 105.88 14.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.875 0.369 . . . . 0.0 110.479 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.425 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.0 mm? -118.32 143.94 46.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.015 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.51 114.25 24.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.42 -101.26 0.04 OUTLIER Glycine 0 C--N 1.335 0.498 0 CA-C-N 115.693 -0.685 . . . . 0.0 114.32 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -52.97 -41.27 64.39 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.69 0.396 . . . . 0.0 111.642 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.35 -40.79 98.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.168 0.508 . . . . 0.0 110.104 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.437 ' O ' HG23 ' B' ' 15' ' ' VAL . 53.5 t80 -67.31 -52.13 44.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.887 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.462 ' O ' HG12 ' B' ' 16' ' ' ILE . 75.3 mt -56.16 -45.58 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.124 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 13' ' ' ARG . 24.5 ttm105 -59.85 -43.34 94.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.329 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 m -68.44 -38.89 81.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 11' ' ' TYR . 76.6 t -64.53 -56.2 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.462 HG12 ' O ' ' B' ' 12' ' ' ILE . 33.0 pt -59.3 -32.45 48.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.554 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.42 -49.41 75.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.001 0.429 . . . . 0.0 110.276 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.7 mt -69.6 -46.71 74.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.628 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.5 m -57.36 -38.43 74.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.923 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.52 -49.52 26.12 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.757 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 16.1 m -58.81 -34.96 72.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.843 0.354 . . . . 0.0 111.028 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -84.56 17.37 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.702 0.763 . . . . 0.0 109.82 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -126.59 -38.44 2.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.855 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -92.01 74.12 5.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.49 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.348 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 121.15 0.5 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.01 156.23 36.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.018 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.38 -60.37 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.11 0.256 . . . . 0.0 111.451 -178.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -65.67 -31.48 72.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.904 0.383 . . . . 0.0 110.377 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.429 ' N ' ' HG2' ' A' ' 4' ' ' GLN . 96.9 m -64.92 -47.68 76.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.486 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.5 mt -75.73 -11.56 60.02 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.78 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 11.5 m -66.27 -25.53 66.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.895 0.379 . . . . 0.0 110.218 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.6 m -92.34 -1.24 57.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.114 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 -75.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.198 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.86 -54.46 5.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.247 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.42 179.01 15.64 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.052 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.0 131.45 23.76 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.603 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -91.1 175.14 7.06 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.7 ttt -57.97 -38.56 76.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.149 0.5 . . . . 0.0 110.715 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -46.25 88.3 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.105 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -42.08 82.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 13' ' ' SER . 1.4 mt -72.91 -40.38 65.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.656 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 m -62.15 -21.02 64.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.74 -25.23 67.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.16 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.06 -1.97 53.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.334 0.588 . . . . 0.0 109.797 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -95.99 -20.53 18.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.036 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.428 -0.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.446 ' HB3' ' OD2' ' A' ' 10' ' ' ASP . 1.3 ttpm? . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -57.55 120.74 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -165.24 -167.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.923 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.48 145.82 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -114.39 105.07 12.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.924 0.392 . . . . 0.0 110.807 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.432 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -119.69 137.06 54.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.348 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -116.29 115.46 25.98 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.692 -0.403 . . . . 0.0 112.075 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.53 -105.73 0.29 Allowed Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.696 -0.683 . . . . 0.0 113.967 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 92.8 mt -49.96 -47.82 52.39 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.766 0.333 . . . . 0.0 111.212 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.432 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.7 mm-40 -61.73 -37.07 82.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.432 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 74.4 t80 -68.06 -49.54 60.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.455 ' O ' HG12 ' B' ' 16' ' ' ILE . 51.9 mt -56.73 -47.37 82.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.825 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 39.3 mtm105 -60.91 -40.04 91.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.288 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.5 m -69.55 -41.75 75.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.756 0.312 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.1 t -63.85 -55.23 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.237 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.455 HG12 ' O ' ' B' ' 12' ' ' ILE . 31.0 pt -59.51 -31.33 46.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.379 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -64.11 -49.17 73.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 110.113 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.98 -45.88 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.552 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.6 m -57.73 -41.48 81.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.44 -47.58 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.838 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -57.1 -34.72 68.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.387 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.8 m -74.75 -14.07 60.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.409 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.19 -14.43 18.51 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.691 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -94.46 60.67 2.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.976 0.417 . . . . 0.0 110.326 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 116.43 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 121.007 0.432 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.96 161.08 19.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.23 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.12 -57.3 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -28.55 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.408 . . . . 0.0 110.752 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 m -68.86 -48.0 64.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.134 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 10.8 tp -69.04 -17.7 63.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 m -68.86 -18.66 64.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.914 0.388 . . . . 0.0 110.268 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.1 t -91.67 -14.97 29.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.018 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 3.6 p -106.9 -72.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.675 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.458 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 26.7 t70 -79.55 -50.12 11.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.39 0.614 . . . . 0.0 109.979 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.7 -177.67 17.23 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.589 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.98 143.04 29.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.096 0.474 . . . . 0.0 110.629 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -86.91 168.1 13.7 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.145 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.4 ttt -57.06 -37.88 72.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.292 0.567 . . . . 0.0 110.628 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -46.24 89.3 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.281 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -58.25 -41.26 83.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.211 -179.582 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -72.94 -38.3 66.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.362 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.8 m -63.59 -20.29 65.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.486 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.76 -24.92 66.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.5 mt -91.14 -5.47 55.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.396 0.617 . . . . 0.0 109.653 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 93.1 m -95.16 5.74 50.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.577 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.486 -0.324 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -99.02 12.47 35.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 122.079 0.942 . . . . 0.0 110.01 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -130.02 166.08 20.85 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 114.036 -1.438 . . . . 0.0 109.87 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.91 164.09 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.587 0.232 . . . . 0.0 110.546 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 55.5 mtt85 -122.25 103.67 8.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.17 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.418 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -112.63 120.29 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 67.4 m -102.5 116.59 32.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.45 -100.95 0.05 OUTLIER Glycine 0 C--N 1.335 0.516 0 CA-C-N 115.584 -0.735 . . . . 0.0 114.557 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.4 mt -53.1 -43.86 67.17 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 122.503 0.321 . . . . 0.0 111.34 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.36 -38.86 92.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.186 0.517 . . . . 0.0 110.161 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.418 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 35.9 t80 -66.43 -56.26 11.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.173 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.444 ' O ' HG12 ' B' ' 16' ' ' ILE . 60.9 mt -55.28 -46.36 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.357 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -58.64 -44.03 89.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.501 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 19.4 m -68.99 -39.8 79.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.98 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.3 -53.51 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.335 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.444 HG12 ' O ' ' B' ' 12' ' ' ILE . 35.9 pt -60.38 -31.86 49.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.506 0.193 . . . . 0.0 111.427 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -65.48 -52.44 52.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.59 -44.3 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.385 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.7 m -59.11 -31.48 68.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.175 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.88 -50.96 29.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 9.6 m -63.5 -15.76 58.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.712 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 56.8 m -75.42 -6.81 51.96 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.616 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -37.23 3.7 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -86.65 75.16 9.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.253 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.415 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 121.127 0.489 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.18 157.67 18.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.611 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.2 tp -53.92 -47.79 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 111.624 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -76.67 -42.76 40.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.303 0.573 . . . . 0.0 110.006 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.2 m -58.96 -50.08 75.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.173 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.89 -17.9 64.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.513 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 53.2 t -67.14 -24.17 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.5 m -89.11 -40.55 12.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.055 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.56 -58.17 1.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.386 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 142.75 163.61 9.79 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.529 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 p -139.72 152.77 46.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 20.5 m -113.73 173.78 6.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.325 0.583 . . . . 0.0 111.337 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ttp -60.08 -32.45 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.806 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -49.47 76.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.954 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.88 -38.76 86.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 13' ' ' SER . 8.0 mt -70.51 -41.08 73.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.648 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -62.06 -24.64 67.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.69 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.3 -26.96 68.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.164 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.0 mt -88.28 -13.15 41.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.486 0.66 . . . . 0.0 109.694 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.8 m -91.31 -20.29 22.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.135 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.465 -0.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.551 0.215 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -57.85 127.9 34.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 61.6 m -157.96 -166.73 2.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.007 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 t -81.47 158.44 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 7' ' ' CYS . 3.9 mpt_? -118.02 93.99 4.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 111.038 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.475 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.6 mm? -110.34 124.58 51.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.553 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -100.83 114.79 28.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.12 -100.76 0.04 OUTLIER Glycine 0 C--N 1.336 0.569 0 CA-C-N 115.705 -0.68 . . . . 0.0 114.582 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 tp -53.44 -39.8 64.69 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 122.486 0.315 . . . . 0.0 111.31 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -65.01 -40.65 95.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.284 0.564 . . . . 0.0 109.768 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.516 ' CD2' ' HG2' ' A' ' 4' ' ' GLN . 53.4 t80 -66.21 -53.29 39.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.833 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.448 ' O ' HG12 ' B' ' 16' ' ' ILE . 65.9 mt -54.54 -47.09 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.125 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 13' ' ' ARG . 27.5 ttm105 -59.44 -44.63 92.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.439 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.2 m -68.03 -38.7 82.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.945 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 17' ' ' LEU . 61.8 t -64.2 -57.51 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.448 HG12 ' O ' ' B' ' 12' ' ' ILE . 31.0 pt -58.3 -32.29 44.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.526 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -63.12 -51.47 66.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.176 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.77 -47.74 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.499 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.6 m -55.19 -34.98 64.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.724 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -81.64 -53.21 6.43 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.065 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -52.51 -34.29 48.95 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.7 m -69.39 -8.42 46.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 8.5 ptp180 -121.58 1.93 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.044 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -112.22 -41.82 3.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.374 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.47 -0.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 121.084 0.468 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.68 151.21 37.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.945 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.81 -44.76 82.31 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.516 ' HG2' ' CD2' ' B' ' 11' ' ' TYR . 9.5 mt-30 -70.44 -46.44 63.87 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.9 m -55.31 -49.25 72.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.576 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.645 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 6.1 mt -78.11 -13.24 59.94 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.497 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.456 ' O ' ' HG3' ' B' ' 5' ' ' ARG . 50.6 t -73.24 -29.14 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.248 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -82.31 -22.79 35.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.327 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.645 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -97.02 -71.9 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -74.38 -57.69 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.442 0.639 . . . . 0.0 109.51 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 126.5 141.92 5.56 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.863 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.72 132.11 56.73 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.66 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 97.6 p -99.1 177.04 5.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.037 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ttt -57.48 -35.88 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.152 0.501 . . . . 0.0 110.244 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -49.72 76.06 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.318 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.71 -38.85 82.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.523 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 13' ' ' SER . 2.6 mt -72.6 -40.92 66.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.739 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.8 m -61.7 -23.42 66.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.94 -23.1 67.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.299 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.12 1.02 49.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.27 0.557 . . . . 0.0 109.87 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.4 m -96.18 -26.64 15.38 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.221 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.43 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.484 ' HG3' ' OG ' ' B' ' 3' ' ' SER . 16.8 pttp . . . . . 0 C--O 1.234 0.263 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 7.4 pm0 -77.5 57.69 1.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 122.111 0.958 . . . . 0.0 111.495 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.584 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.8 OUTLIER -71.61 113.7 8.92 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.042 -179.236 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 m -107.27 148.87 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 6.4 mmt85 -84.15 92.94 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.943 0.402 . . . . 0.0 111.324 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.0 mt -112.54 101.69 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.908 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 m -85.24 112.23 20.56 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.52 -101.36 0.07 OUTLIER Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.353 -0.84 . . . . 0.0 114.721 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -50.47 -40.86 52.03 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 122.95 0.5 . . . . 0.0 112.103 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.93 -43.21 98.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 110.565 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.485 ' O ' HG23 ' B' ' 15' ' ' VAL . 28.4 t80 -69.58 -49.84 50.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.052 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -54.3 -44.61 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.9 ttm105 -60.87 -42.01 97.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.031 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -70.66 -36.23 73.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD21 ' A' ' 17' ' ' LEU . 75.6 t -62.37 -56.3 18.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 15.5 pt -61.2 -31.2 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.283 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -67.58 -54.77 17.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.698 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.69 HD12 HD22 ' A' ' 17' ' ' LEU . 71.3 mt -65.62 -44.13 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.059 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 m -58.17 -42.08 85.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.053 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.24 66.02 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 26.6 m -58.54 -39.57 80.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.314 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -73.45 -15.12 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.252 0.548 . . . . 0.0 110.405 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -89.37 -37.78 14.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.218 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -81.47 -45.84 15.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.667 -0.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.98 0.419 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.45 158.71 20.13 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -50.72 70.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.755 0.312 . . . . 0.0 111.412 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 5.4 mt-30 -70.75 -36.68 73.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.371 0.605 . . . . 0.0 110.308 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.0 m -66.3 -47.24 74.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.468 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 14.2 tp -67.54 -11.01 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.103 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 17.9 m -64.4 -23.41 67.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.964 0.411 . . . . 0.0 110.571 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 m -101.37 -22.29 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.511 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -82.94 -51.24 7.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.928 0.394 . . . . 0.0 110.79 179.396 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.484 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 19.6 t70 -111.15 -53.49 2.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.732 0.777 . . . . 0.0 109.504 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.584 ' O ' ' HB3' ' B' ' 3' ' ' SER . . . 118.72 136.59 5.44 Favored Glycine 0 N--CA 1.438 -1.171 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.078 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.85 139.93 30.28 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 m -104.35 170.99 7.58 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.051 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ttt -67.34 -30.35 70.15 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -57.14 14.31 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.287 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -42.25 99.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.146 0.498 . . . . 0.0 110.21 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.69 HD22 HD12 ' B' ' 18' ' ' ILE . 4.8 tt -60.41 -44.93 95.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.415 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.8 m -62.39 -34.67 77.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 0.0 110.515 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.63 -26.51 67.1 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.246 0.546 . . . . 0.0 110.093 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -82.59 -25.01 33.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.684 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.3 m -85.55 63.96 8.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.754 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.349 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.412 ' HZ2' ' CG ' ' A' ' 10' ' ' ASP . 12.9 tmtt? . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.611 0.243 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -146.98 153.77 40.46 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.5 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 44.4 m -154.4 -165.24 2.03 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -79.97 118.62 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.305 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 95.4 mtt-85 -94.01 91.25 6.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.418 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.2 mt -106.71 110.31 22.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.823 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -98.34 115.61 28.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.976 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.8 -102.6 0.08 OUTLIER Glycine 0 C--N 1.333 0.398 0 CA-C-N 115.62 -0.718 . . . . 0.0 114.287 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.08 -42.49 65.92 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 122.536 0.334 . . . . 0.0 111.488 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.28 -38.08 89.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.09 0.472 . . . . 0.0 110.339 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.43 ' O ' HG23 ' B' ' 15' ' ' VAL . 73.7 t80 -69.9 -54.51 13.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.162 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -54.38 -45.71 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.287 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -60.86 -42.14 97.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.512 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.2 m -71.97 -37.93 69.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.965 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 11' ' ' TYR . 61.6 t -61.32 -54.41 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.572 0.225 . . . . 0.0 110.673 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 pt -60.93 -31.94 51.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.746 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -66.56 -49.5 66.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.046 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.49 -46.66 95.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.4 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.53 -41.88 86.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.769 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.97 -47.22 66.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.787 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -57.04 -35.28 69.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 111.302 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m -70.91 -19.36 62.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.306 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -18.93 21.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.505 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -86.62 -50.16 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.324 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.414 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 121.068 0.461 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.02 154.43 28.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.306 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.3 tp -58.15 -52.92 63.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.264 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.42 ' H ' ' HG3' ' A' ' 4' ' ' GLN . 7.1 mt-30 -64.08 -39.23 93.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.409 0.624 . . . . 0.0 109.611 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -62.03 -56.67 16.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.192 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 6' ' ' LEU . 9.7 mt -64.87 -19.67 66.01 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.363 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.586 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 1.7 m -64.26 -18.3 64.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 109.934 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.9 t -106.1 -43.29 4.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.525 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -66.47 -45.61 79.14 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.243 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.412 ' CG ' ' HZ2' ' B' ' 1' ' ' LYS . 25.3 t70 -111.41 -43.25 3.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 111.611 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.56 122.79 5.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.729 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.5 ' O ' ' HB3' ' B' ' 3' ' ' SER . 1.7 p -100.68 178.84 4.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.861 0.362 . . . . 0.0 111.34 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 p -113.13 168.31 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.625 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.8 ttm -60.12 -35.26 74.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 110.697 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -52.3 65.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.29 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.13 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.45 -39.75 94.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.511 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -67.88 -19.98 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.068 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.23 -23.55 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.059 0.457 . . . . 0.0 110.331 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.0 -9.73 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.423 0.63 . . . . 0.0 109.633 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m -89.6 63.28 6.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.644 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.372 -0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.499 ' CD ' HH21 ' B' ' 5' ' ' ARG . 12.6 tp10 -61.84 143.23 56.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.103 0.478 . . . . 0.0 111.289 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -162.62 -168.25 1.77 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.785 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.414 HG23 ' H ' ' B' ' 4' ' ' VAL . 0.7 OUTLIER -71.79 149.84 9.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.246 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.499 HH21 ' CD ' ' B' ' 2' ' ' GLU . 16.5 mmt180 -113.13 91.06 3.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.933 0.397 . . . . 0.0 110.84 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.51 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.1 mm? -109.51 116.49 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.631 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 96.3 m -96.84 113.72 25.29 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.39 -100.42 0.05 OUTLIER Glycine 0 C--N 1.336 0.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.293 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.574 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 89.1 mt -49.87 -47.21 52.02 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 122.485 0.314 . . . . 0.0 111.266 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.7 mm-40 -62.27 -38.61 89.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.649 ' CD1' ' HG3' ' A' ' 4' ' ' GLN . 44.8 t80 -65.01 -49.78 68.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.429 ' O ' HG12 ' B' ' 16' ' ' ILE . 55.0 mt -57.24 -48.46 82.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.213 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 39.4 mtm105 -59.86 -43.14 94.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.494 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -67.63 -39.97 84.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.49 HG22 ' HB3' ' A' ' 17' ' ' LEU . 48.3 t -65.89 -55.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.405 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.429 HG12 ' O ' ' B' ' 12' ' ' ILE . 30.9 pt -57.55 -31.29 38.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.424 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.29 -48.49 77.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 110.122 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 72.3 mt -67.17 -50.25 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 m -62.08 -18.52 60.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.423 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -95.57 -53.15 3.84 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.054 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.8 m -54.52 -36.04 63.82 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -74.62 -5.03 40.69 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 9.1 ptp180 -115.62 -11.36 11.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.769 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -99.87 -40.45 7.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.349 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.462 -0.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 121.23 0.538 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.87 158.35 18.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.588 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.9 tp -58.42 -45.87 87.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 111.438 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.649 ' HG3' ' CD1' ' B' ' 11' ' ' TYR . 27.7 mp0 -74.73 -42.62 57.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.401 0.62 . . . . 0.0 109.715 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.3 m -61.12 -50.73 72.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.534 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 19.1 tp -63.26 -17.41 62.46 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.558 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 43.8 t -67.51 -21.43 65.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.283 0.563 . . . . 0.0 109.605 178.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.1 m -95.32 -34.14 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -73.36 -58.28 3.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.656 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -101.31 -44.85 5.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.21 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 121.69 148.75 7.91 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.413 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.2 p -125.18 140.02 53.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.096 0.448 . . . . 0.0 110.048 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.667 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 88.9 p -109.99 177.5 4.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.364 -0.38 . . . . 0.0 109.975 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.4 ttt -58.33 -31.49 67.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.249 0.547 . . . . 0.0 110.262 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -52.76 64.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.485 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -43.64 96.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.997 0.427 . . . . 0.0 110.888 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 13' ' ' SER . 2.9 mt -63.12 -50.96 68.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.139 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -66.17 -24.65 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.451 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.44 -31.76 71.3 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.727 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -83.01 -11.49 58.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.374 0.607 . . . . 0.0 109.642 179.571 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.46 33.34 5.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.704 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.335 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' LYS . . . . . 0.488 ' HE2' ' OG ' ' A' ' 13' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.995 0.426 . . . . 0.0 110.156 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -55.81 125.97 23.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.287 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.563 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 1.4 p -168.53 -170.94 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.574 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 m -83.95 139.85 17.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.097 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -105.65 108.71 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.928 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.9 mm? -119.66 146.69 45.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 20.0 m -112.48 114.27 26.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.09 -98.09 0.01 OUTLIER Glycine 0 C--N 1.337 0.627 0 O-C-N 124.035 0.834 . . . . 0.0 114.506 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.8 mt -51.32 -41.42 60.51 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.662 0.385 . . . . 0.0 111.708 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -35.17 74.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -66.84 -48.5 68.7 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.425 ' O ' HG12 ' B' ' 16' ' ' ILE . 76.7 mt -60.93 -40.59 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.777 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' B' ' 9' ' ' LEU . 2.8 tpp180 -56.94 -48.23 78.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.685 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -68.95 -37.8 79.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.03 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.84 -54.48 33.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.072 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 12' ' ' ILE . 28.2 pt -61.52 -28.9 44.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.552 0.215 . . . . 0.0 110.963 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.83 -52.36 30.75 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.01 -44.79 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.348 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.57 -6.58 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.713 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -109.67 -54.74 2.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.498 0.19 . . . . 0.0 110.932 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 18.0 m -56.36 -36.42 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 25.3 m -77.9 0.26 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.646 0.26 . . . . 0.0 111.61 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 4.1 ptp180 -112.67 -17.95 12.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.421 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -88.68 72.44 8.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.346 -0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.071 0 CA-C-O 121.024 0.44 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.58 152.93 40.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.091 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 6.0 mt -55.08 -47.89 74.27 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.175 0.297 . . . . 0.0 111.728 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -71.21 -41.36 70.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.0 109.75 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.0 m -59.07 -52.19 66.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.645 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 7.5 mt -78.35 -8.36 58.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.29 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.584 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -69.85 -27.62 64.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.955 0.407 . . . . 0.0 110.002 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.7 m -90.54 -1.86 57.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.159 0.504 . . . . 0.0 110.167 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.482 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.97 -72.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.638 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -82.51 -55.24 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.882 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.37 172.56 13.47 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.848 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.563 ' O ' ' HB2' ' B' ' 3' ' ' SER . 57.7 m -129.22 138.29 51.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.759 0.314 . . . . 0.0 110.365 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.488 ' OG ' ' HE2' ' B' ' 1' ' ' LYS . 0.6 OUTLIER -99.74 169.27 9.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.717 0.294 . . . . 0.0 111.051 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.2 tpt -53.8 -49.91 67.29 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.223 0.535 . . . . 0.0 111.035 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -48.48 73.07 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.72 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -42.46 84.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.504 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.61 -37.97 70.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.723 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 m -65.65 -19.63 65.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.12 -22.47 65.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.086 0.469 . . . . 0.0 110.37 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.99 -4.06 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.711 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.2 m -92.1 58.62 3.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.682 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -53.48 120.76 6.52 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.57 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.481 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 20.1 m -158.94 -173.88 4.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.248 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 m -83.58 135.94 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.406 -0.517 . . . . 0.0 109.803 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 5.3 mpt_? -102.01 110.4 22.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.978 0.418 . . . . 0.0 111.174 -179.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.469 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -124.13 128.94 50.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.088 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 m -108.66 119.46 39.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.58 -108.18 0.65 Allowed Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.363 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 18.3 tp -54.28 -39.11 66.59 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 122.475 0.31 . . . . 0.0 111.352 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -63.94 -39.82 95.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.148 0.499 . . . . 0.0 109.985 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' TYR . . . . . 0.469 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 46.8 t80 -69.66 -53.06 20.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.943 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -51.96 -45.35 40.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.887 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' B' ' 13' ' ' ARG . 27.9 ttm105 -61.44 -42.61 99.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.295 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m -69.21 -37.58 78.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.781 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.1 t -63.02 -58.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.71 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 21.4 pt -57.38 -30.9 36.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.437 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -63.82 -47.46 80.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.194 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.7 -49.76 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.655 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 m -59.82 -40.72 89.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.474 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.07 -45.8 72.81 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.886 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 23.9 m -59.7 -37.71 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.726 0.298 . . . . 0.0 111.08 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.7 m -74.1 -13.38 60.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.345 0.593 . . . . 0.0 110.43 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -91.76 -37.51 12.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.158 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -81.7 -45.24 15.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.601 -0.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.064 0.459 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.62 158.55 20.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.405 ' CD2' HD13 ' A' ' 20' ' ' LEU . 68.6 tp -58.05 -55.3 36.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.566 0.222 . . . . 0.0 110.943 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -37.33 87.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.286 0.565 . . . . 0.0 110.204 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.5 m -65.42 -52.17 55.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.639 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 9.5 tp -68.37 -21.37 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.741 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 5.4 m -67.69 -17.03 64.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.92 0.391 . . . . 0.0 110.076 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.55 -25.33 19.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.882 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.451 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 5.4 p -96.35 -74.88 0.55 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.17 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.24 -44.69 44.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.362 0.601 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.78 175.67 24.75 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.836 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' B' ' 3' ' ' SER . 0.6 OUTLIER -142.05 158.63 43.54 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.43 174.07 6.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.5 ttt -56.04 -35.61 67.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.354 0.597 . . . . 0.0 110.793 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -49.13 78.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.548 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -48.66 78.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.041 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.83 -42.34 97.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.991 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -68.79 -26.37 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.613 0.244 . . . . 0.0 110.364 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.74 65.21 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' A' ' 3' ' ' LEU . 14.6 tp -72.83 -23.04 60.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.823 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 m -111.04 36.25 3.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -102.56 103.94 14.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.906 0.384 . . . . 0.0 110.829 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.9 mm? -113.6 133.72 55.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.55 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 m -114.68 114.5 25.73 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.45 -105.16 0.26 Allowed Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.694 -0.685 . . . . 0.0 114.239 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.17 -42.22 65.98 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 122.611 0.365 . . . . 0.0 111.564 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.47 -39.25 92.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.143 0.497 . . . . 0.0 110.36 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.415 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 83.3 t80 -69.92 -54.49 13.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.228 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.464 ' O ' HG12 ' B' ' 16' ' ' ILE . 68.1 mt -53.24 -46.38 56.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.165 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.8 ttm105 -59.24 -43.75 92.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.412 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.2 m -68.8 -39.43 80.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.111 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.37 -53.21 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.415 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 12' ' ' ILE . 37.9 pt -60.41 -31.46 48.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.53 0.205 . . . . 0.0 111.221 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -64.08 -49.5 72.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.086 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -67.31 -45.35 86.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.519 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -58.3 -41.76 85.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.27 -48.02 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.723 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -56.63 -36.72 69.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.286 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.0 m -72.87 -19.31 61.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.343 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -17.97 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.6 m95 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.254 179.679 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.136 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -55.53 -45.87 77.13 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.73 0.412 . . . . 0.0 111.756 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -76.2 -39.81 53.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.39 0.614 . . . . 0.0 109.955 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.5 m -61.84 -52.88 62.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.118 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.83 -9.57 58.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.237 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -68.6 -20.35 64.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.051 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.0 t -92.56 13.3 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.648 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -138.17 -68.99 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.966 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -77.04 -62.03 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.456 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.48 152.49 9.3 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.9 m -116.67 140.08 49.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.889 0.376 . . . . 0.0 110.212 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.58 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -89.68 163.84 14.96 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.3 ttm -57.6 -42.44 83.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.492 . . . . 0.0 111.019 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.39 -42.45 91.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.225 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -37.37 82.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.154 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 13' ' ' SER . 7.6 mt -70.64 -36.66 73.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.102 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -64.52 -29.85 70.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.023 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -22.67 62.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.238 0.542 . . . . 0.0 109.762 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 tp -88.07 -17.24 31.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.406 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.4 m . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.754 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.418 ' HB ' ' CD2' ' B' ' 6' ' ' LEU . 2.7 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 8.6 mpt_? -94.47 88.42 5.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.009 0.433 . . . . 0.0 111.972 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.45 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 1.3 mm? -107.79 105.82 15.83 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 m -100.32 119.49 38.5 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.23 -106.16 0.69 Allowed Glycine 0 C--N 1.334 0.438 0 CA-C-N 115.595 -0.729 . . . . 0.0 114.126 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.32 -41.03 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.531 0.332 . . . . 0.0 111.439 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.49 -40.3 95.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.577 ' CE2' ' HG2' ' A' ' 4' ' ' GLN . 55.4 t80 -67.25 -54.18 23.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.0 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.451 ' O ' HG12 ' B' ' 16' ' ' ILE . 66.6 mt -54.61 -48.55 71.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.339 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.8 ttm105 -58.12 -43.62 87.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.633 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -69.88 -40.98 75.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.323 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.04 -50.8 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.523 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.451 HG12 ' O ' ' B' ' 12' ' ' ILE . 37.5 pt -62.51 -31.86 53.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.0 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -65.21 -50.64 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.216 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.1 mt -64.78 -47.46 88.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.5 m -57.82 -41.97 83.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.05 -49.09 60.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -56.09 -36.98 68.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.701 0.286 . . . . 0.0 111.461 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.4 m -72.61 -19.23 61.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.57 -18.17 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.536 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.8 m95 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.239 179.67 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.223 -0.32 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.94 -42.84 80.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.304 . . . . 0.0 111.693 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' B' ' 11' ' ' TYR . 5.3 mt-30 -76.75 -43.56 36.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.496 0.665 . . . . 0.0 109.708 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.4 m -60.74 -49.44 77.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.976 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 11.1 tp -66.59 -20.05 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.181 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 47.7 t -67.24 -17.9 65.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.1 0.476 . . . . 0.0 110.152 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -90.9 -19.9 22.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.981 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.428 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 3.5 p -102.12 -74.57 0.62 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.199 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 29.6 t70 -79.73 -26.4 40.82 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 109.951 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 91.87 143.4 11.95 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.079 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.36 133.77 47.87 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -87.28 158.89 18.97 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.576 -178.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.5 ttp -63.16 -36.23 82.93 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -57.29 -47.07 82.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.961 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.81 -44.37 94.02 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.999 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 13' ' ' SER . 12.8 mt -64.69 -37.73 88.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -63.11 -35.83 81.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.214 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.37 -24.48 64.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.268 0.556 . . . . 0.0 110.042 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -86.02 -22.27 27.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.633 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.69 -179.683 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.563 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 25.1 mtt180 -99.07 101.4 12.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.232 0.539 . . . . 0.0 111.423 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.423 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.7 mm? -108.47 116.59 32.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.306 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.7 m -102.03 114.87 29.37 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.49 -102.02 0.1 OUTLIER Glycine 0 C--N 1.336 0.537 0 CA-C-N 115.692 -0.685 . . . . 0.0 114.257 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.19 -41.21 65.03 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.524 0.33 . . . . 0.0 111.475 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.98 -40.17 96.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.132 0.491 . . . . 0.0 110.278 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.539 ' CE2' ' HG2' ' A' ' 4' ' ' GLN . 61.6 t80 -68.33 -55.64 11.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.881 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -52.18 -45.34 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.249 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.7 ttm105 -60.74 -40.52 92.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.173 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -70.21 -39.92 74.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.67 -53.34 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 25.1 pt -61.07 -31.19 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.7 0.286 . . . . 0.0 110.899 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -67.55 -50.32 59.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.058 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.91 -43.81 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.34 -22.45 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.45 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -92.62 -46.78 7.43 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.153 -0.219 . . . . 0.0 110.594 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.5 m -53.99 -28.95 41.03 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -17.31 64.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 11.2 ptp180 -110.91 0.47 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.985 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 15.6 m95 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.431 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.226 -0.169 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.1 tp -58.26 -54.22 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.792 0.269 . . . . 0.0 111.103 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.539 ' HG2' ' CE2' ' B' ' 11' ' ' TYR . 3.2 mt-30 -63.59 -38.96 93.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.411 0.624 . . . . 0.0 109.855 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -63.82 -54.77 29.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.553 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.73 -23.94 66.47 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.066 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 50.6 m -58.47 -26.02 62.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 109.927 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 t -99.14 -39.86 8.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.643 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -62.28 -47.23 85.26 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.571 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.563 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 8.3 t0 -130.4 -44.69 1.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.32 158.69 9.25 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.415 -0.898 . . . . 0.0 113.227 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 m -136.48 152.32 50.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.89 163.18 14.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.072 0.463 . . . . 0.0 111.563 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.1 ttm -65.71 -42.72 90.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.379 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -59.71 -42.4 92.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.847 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.54 -45.89 84.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.256 0.551 . . . . 0.0 109.787 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.15 -35.35 79.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.429 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -64.84 -35.73 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.184 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -26.02 66.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.15 0.5 . . . . 0.0 110.04 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -82.18 -24.84 34.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.41 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.757 -179.81 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.586 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 36.6 mtt180 -105.66 96.37 6.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.202 0.525 . . . . 0.0 111.848 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.416 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.7 mm? -109.14 123.76 49.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.978 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 16.2 m -104.68 117.21 33.53 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.12 -101.16 0.05 OUTLIER Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.469 -0.787 . . . . 0.0 114.248 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 51.0 tp -50.74 -41.31 56.28 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.714 0.406 . . . . 0.0 111.292 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.8 -38.44 79.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.502 ' O ' HG23 ' B' ' 15' ' ' VAL . 60.0 t80 -65.25 -50.37 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.3 -43.77 86.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.274 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' B' ' 9' ' ' LEU . 0.0 OUTLIER -60.11 -39.64 86.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.913 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.9 m -69.87 -42.5 73.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 11' ' ' TYR . 95.6 t -61.27 -52.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.155 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.48 -31.22 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.617 0.246 . . . . 0.0 111.014 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.25 -46.91 69.19 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.94 -44.9 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.215 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 m -59.3 -37.86 78.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.778 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.26 70.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.196 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.0 m -60.52 -38.35 84.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -68.86 -18.43 64.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.239 0.542 . . . . 0.0 110.517 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -90.91 -37.6 13.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.626 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 42.8 m95 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.148 -179.306 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -50.05 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.012 0.434 . . . . 0.0 110.816 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.424 HE21 ' HB3' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -68.41 -44.48 74.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.994 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.5 m -59.65 -56.65 19.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.866 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.38 -22.33 66.82 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.823 -0.171 . . . . 0.0 111.426 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.557 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 49.4 t -63.58 -23.41 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 t -97.23 -39.84 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.292 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -46.42 84.76 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.177 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.586 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 10.5 t0 -127.77 -50.22 1.36 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.411 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.14 158.07 7.5 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.183 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.8 p -136.78 140.97 42.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.07 159.19 16.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.309 0.576 . . . . 0.0 112.358 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.5 ttt -63.61 -44.97 92.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.2 p -58.07 -43.45 86.95 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.231 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.77 -44.08 85.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.344 0.593 . . . . 0.0 109.759 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.43 -33.86 71.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.69 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.3 m -64.99 -26.01 68.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.741 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.31 -27.56 68.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.097 0.475 . . . . 0.0 110.318 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mt -88.35 -18.8 27.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.613 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 m . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.951 -179.325 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 5.0 mpt_? -101.9 106.76 17.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.94 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 10.9 mt -119.87 125.38 48.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.552 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 50.5 m -99.51 113.78 26.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.444 ' O ' HG12 ' B' ' 12' ' ' ILE . . . 49.1 -100.97 0.04 OUTLIER Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.544 -0.753 . . . . 0.0 114.537 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 95.2 mt -52.89 -40.74 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.505 0.322 . . . . 0.0 111.756 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.94 -38.54 91.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.269 0.556 . . . . 0.0 110.018 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -68.73 -48.76 62.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.094 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.444 HG12 ' O ' ' B' ' 8' ' ' GLY . 30.5 mm -56.22 -47.03 81.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -44.59 95.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.57 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -66.49 -42.03 88.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.384 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 70.2 t -62.79 -55.47 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.266 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.433 HG12 ' O ' ' B' ' 12' ' ' ILE . 29.1 pt -60.08 -30.49 45.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.5 0.191 . . . . 0.0 111.473 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.95 -51.21 60.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.308 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 72.6 mt -67.03 -44.61 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.7 m -61.95 -24.76 67.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.271 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -89.73 -54.02 4.25 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.947 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -52.8 -27.42 18.01 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -18.38 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 7.6 ptp180 -119.28 0.83 11.24 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.187 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.6 m95 . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 110.212 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.225 -0.215 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.2 tp -56.92 -39.85 75.23 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.58 -36.43 22.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 110.062 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -66.05 -48.84 69.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.882 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.583 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 20.4 tp -69.54 -8.24 45.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.989 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -69.14 -22.58 63.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.993 0.425 . . . . 0.0 110.043 179.278 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.8 m -94.03 -30.54 14.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.95 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.583 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -77.92 -55.6 5.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.152 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -105.44 -60.3 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.146 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.64 175.16 13.85 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.628 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 39.1 m -131.82 139.45 48.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.885 0.374 . . . . 0.0 110.811 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -92.98 161.62 14.38 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.151 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.0 ttt -56.8 -38.46 72.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.329 0.585 . . . . 0.0 110.755 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.74 -46.39 89.3 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.37 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -41.24 85.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.627 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 13' ' ' SER . 0.7 OUTLIER -72.32 -41.11 66.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.294 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.8 m -62.26 -21.03 64.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.765 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.35 -24.7 65.74 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.981 0.42 . . . . 0.0 110.07 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.64 -5.37 53.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.454 0.645 . . . . 0.0 109.597 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.5 m . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.269 -179.132 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.151 0.5 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 20.7 mmt180 -80.36 75.86 7.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.575 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.422 ' HB3' ' CA ' ' B' ' 11' ' ' TYR . 55.1 mt -90.33 102.45 15.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.505 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -98.88 115.33 28.61 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.649 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.507 ' HA2' ' OE1' ' A' ' 4' ' ' GLN . . . 56.31 -107.39 0.86 Allowed Glycine 0 C--N 1.33 0.224 0 CA-C-N 115.6 -0.727 . . . . 0.0 114.108 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 17.5 tp -53.4 -37.84 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.527 0.331 . . . . 0.0 111.659 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -62.79 -42.14 99.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.107 0.48 . . . . 0.0 110.212 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.422 ' CA ' ' HB3' ' B' ' 6' ' ' LEU . 86.2 t80 -68.52 -52.61 30.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.996 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -53.76 -48.46 61.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.384 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 13' ' ' ARG . 29.3 ttm105 -60.04 -44.12 94.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.842 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -70.99 -37.46 72.71 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.199 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.65 -53.52 45.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.484 0.183 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 20.1 pt -61.32 -31.79 51.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.624 0.25 . . . . 0.0 110.745 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -67.66 -49.65 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.207 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.64 -47.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.631 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.3 m -58.9 -40.88 85.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.027 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.88 63.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.697 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -56.33 -37.7 70.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.323 . . . . 0.0 111.355 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.2 m -72.52 -18.81 61.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.353 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -18.57 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.716 0.293 . . . . 0.0 110.562 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.7 m95 . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.899 0.381 . . . . 0.0 110.279 179.742 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.222 -0.384 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -56.86 -51.9 67.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.493 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.507 ' OE1' ' HA2' ' B' ' 8' ' ' GLY . 0.1 OUTLIER -62.74 -40.92 98.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.422 0.63 . . . . 0.0 110.172 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -65.67 -51.44 59.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.72 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 14.3 tp -63.04 -18.56 63.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.609 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 18.3 m -64.62 -18.29 64.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.248 0.547 . . . . 0.0 110.079 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -103.56 -36.85 7.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.345 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -48.75 58.83 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.763 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 23.8 t70 -114.78 -44.53 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.134 0.492 . . . . 0.0 110.852 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.95 141.22 8.63 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.182 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.6 p -122.44 161.65 23.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.72 0.295 . . . . 0.0 110.508 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.5 p -107.18 176.28 5.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.7 ttt -59.15 -34.36 72.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.21 0.529 . . . . 0.0 110.253 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -50.06 74.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.354 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.84 -42.11 92.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.372 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.33 -41.91 88.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.009 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.8 m -65.78 -20.88 66.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.71 -23.85 66.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.93 0.395 . . . . 0.0 110.585 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -93.04 -10.06 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.344 0.592 . . . . 0.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.668 -179.683 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 12' ' ' CYS . 18.8 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.59 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 3.6 mpt_? -93.62 89.03 6.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.14 0.495 . . . . 0.0 111.572 -178.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.9 mt -108.66 102.09 11.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.657 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.3 m -86.86 112.91 22.21 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.56 -101.8 0.06 OUTLIER Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.497 -0.774 . . . . 0.0 114.34 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.571 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 45.8 tp -47.61 -45.1 27.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.015 0.526 . . . . 0.0 111.905 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.445 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.6 mm-40 -59.98 -40.36 88.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.759 0.314 . . . . 0.0 111.375 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.458 ' O ' HG23 ' B' ' 15' ' ' VAL . 60.7 t80 -70.03 -45.0 68.11 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.415 ' O ' HG12 ' B' ' 16' ' ' ILE . 68.4 mt -57.34 -47.67 84.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.866 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 41.9 mtm105 -60.16 -39.06 85.06 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -69.79 -41.45 75.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.6 t -64.12 -54.71 28.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 12' ' ' ILE . 29.5 pt -59.91 -31.67 48.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.785 -0.189 . . . . 0.0 111.421 -178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -64.68 -54.89 24.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.444 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.502 HD12 ' CD1' ' A' ' 17' ' ' LEU . 18.4 mt -67.76 -40.97 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -57.07 -43.91 82.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.706 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.87 65.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.962 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 44.3 m -58.25 -38.91 77.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.636 0.255 . . . . 0.0 111.335 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -73.67 -14.13 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.405 0.621 . . . . 0.0 110.459 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -92.36 -37.86 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.335 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 56.0 m95 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.351 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.105 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.83 -51.83 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.992 0.182 . . . . 0.0 111.306 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -62.6 -42.8 99.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.396 0.617 . . . . 0.0 109.553 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -59.03 -43.56 91.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.78 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.564 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 1.4 tp -74.97 -22.44 58.55 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.51 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.59 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 46.3 m -63.96 -28.32 69.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.998 0.428 . . . . 0.0 110.52 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.2 m -86.66 -22.03 26.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.459 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.564 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -100.43 -74.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.66 -44.14 82.66 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.401 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.84 101.82 1.22 Allowed Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' O ' HG22 ' B' ' 4' ' ' VAL . 1.7 p -70.42 155.72 40.31 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.398 0.618 . . . . 0.0 111.927 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -105.99 162.51 13.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.986 -1.007 . . . . 0.0 108.958 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.411 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 48.5 ttp -57.53 -35.63 70.54 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -44.47 96.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.104 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.78 -49.8 75.4 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.626 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD1' HD12 ' B' ' 18' ' ' ILE . 0.6 OUTLIER -72.33 -25.46 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.392 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 m -67.99 -32.13 72.31 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.17 -23.03 62.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.339 0.59 . . . . 0.0 109.676 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 tp -85.22 -21.19 29.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.326 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.556 179.808 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 8.2 mpt_? -101.56 87.69 3.24 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.46 ' HB3' ' CA ' ' B' ' 11' ' ' TYR . 1.7 mm? -107.77 103.33 12.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 m -101.28 117.29 34.68 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.26 -106.41 0.73 Allowed Glycine 0 C--N 1.333 0.415 0 CA-C-N 115.597 -0.729 . . . . 0.0 114.021 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.56 -41.01 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.498 0.319 . . . . 0.0 111.569 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -63.9 -38.22 90.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.113 0.482 . . . . 0.0 110.393 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.46 ' CA ' ' HB3' ' B' ' 6' ' ' LEU . 86.5 t80 -70.83 -54.23 12.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.014 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.474 ' O ' HG12 ' B' ' 16' ' ' ILE . 66.9 mt -53.36 -47.01 58.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.279 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.1 ttm105 -59.15 -46.55 88.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.449 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 21.8 m -67.52 -39.79 85.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 11' ' ' TYR . 53.6 t -63.57 -57.21 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.582 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.474 HG12 ' O ' ' B' ' 12' ' ' ILE . 28.4 pt -57.76 -37.35 59.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.11 -54.58 35.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.727 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.543 HD12 HD11 ' A' ' 17' ' ' LEU . 68.9 mt -68.66 -36.99 76.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.196 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -58.03 -31.64 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.26 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -91.17 -51.19 5.44 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.061 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -54.98 -19.69 7.38 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -22.98 65.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.586 0.232 . . . . 0.0 111.285 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 1.6 ptp180 -115.26 -12.13 11.87 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.044 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . 0.403 ' CD1' ' HB1' ' B' ' 20' ' ' ALA . 17.7 m95 . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.009 0.433 . . . . 0.0 110.225 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.225 -0.214 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.62 -40.78 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.49 -43.3 21.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.482 0.658 . . . . 0.0 109.73 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.5 m -60.36 -47.66 85.11 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.93 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 7.0 tp -66.66 -18.49 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.138 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 49.3 t -70.04 -17.82 63.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.286 0.565 . . . . 0.0 109.892 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -91.67 -27.94 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.779 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.535 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 2.9 p -91.61 -74.15 0.52 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.31 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.544 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 18.4 t70 -76.32 -34.21 59.03 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.497 0.665 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 96.37 126.04 5.04 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.528 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.1 p -95.24 142.23 27.9 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.21 165.41 13.96 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.635 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -64.18 -37.13 86.36 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 m -58.97 -39.02 80.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.051 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.9 -53.46 53.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.023 0.44 . . . . 0.0 110.781 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD11 HD12 ' B' ' 18' ' ' ILE . 2.6 pp -71.24 -33.61 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 p -66.75 -31.53 72.23 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.335 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.97 64.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.361 0.601 . . . . 0.0 109.68 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.85 -16.79 46.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.365 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.273 -179.579 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 20.1 mtt180 -111.66 110.0 20.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.14 0.495 . . . . 0.0 111.887 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' B' ' 10' ' ' GLU . 1.7 mm? -123.66 153.64 40.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 m -120.69 119.23 32.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.37 -107.77 0.35 Allowed Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.054 -0.975 . . . . 0.0 114.512 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -51.48 -37.25 48.08 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 122.994 0.517 . . . . 0.0 112.199 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.401 ' HB3' HD12 ' B' ' 6' ' ' LEU . 15.8 mm-40 -61.35 -45.48 94.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.047 0.451 . . . . 0.0 110.45 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.555 ' O ' HG23 ' B' ' 15' ' ' VAL . 40.0 t80 -70.11 -48.49 57.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.046 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.454 ' O ' HG12 ' B' ' 16' ' ' ILE . 84.1 mt -54.41 -45.08 69.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.715 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' B' ' 13' ' ' ARG . 24.9 ttm105 -59.79 -41.45 91.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.654 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -65.96 -42.17 90.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.612 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 11' ' ' TYR . 50.3 t -63.92 -56.95 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.26 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.454 HG12 ' O ' ' B' ' 12' ' ' ILE . 38.9 pt -59.28 -34.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -65.2 -54.4 30.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.721 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.724 HD12 HD11 ' A' ' 17' ' ' LEU . 94.0 mt -67.2 -42.88 88.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.265 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 77.5 m -62.65 -27.22 69.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -88.44 -52.37 5.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.058 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -52.7 -28.47 22.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -16.5 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 23' ' ' ARG . 7.1 ptp180 -120.39 3.71 10.78 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.425 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 11.9 m95 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.924 0.393 . . . . 0.0 110.565 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.115 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.8 tp -55.62 -46.31 77.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.707 0.289 . . . . 0.0 111.162 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -75.6 -38.89 58.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.233 0.54 . . . . 0.0 110.406 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -63.44 -45.45 90.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.944 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.96 -16.33 63.24 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.339 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 65.0 m -60.06 -25.42 65.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.7 0.286 . . . . 0.0 110.7 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.0 m -95.28 -38.44 10.54 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -51.28 61.99 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.504 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.607 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 10.0 t0 -128.13 -46.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 111.504 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.21 174.44 13.42 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.411 -0.9 . . . . 0.0 113.068 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p -147.79 146.58 29.22 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.52 163.52 12.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.301 0.572 . . . . 0.0 112.294 -178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.63 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.3 ttt -62.16 -49.29 76.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.767 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -57.87 -38.85 76.49 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.001 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.11 -48.87 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.54 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.724 HD11 HD12 ' B' ' 18' ' ' ILE . 3.2 pp -74.69 -28.11 60.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.705 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.7 m -65.44 -22.47 66.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.847 0.356 . . . . 0.0 110.183 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.67 -27.67 67.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.116 0.484 . . . . 0.0 109.822 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mp -82.68 -20.42 36.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 109.271 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.6 m . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.96 -179.801 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 2.2 mpt_? -110.81 95.79 5.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 110.79 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.465 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.6 mm? -107.43 122.37 46.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.786 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 m -105.03 121.77 44.47 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.4 ' HA2' ' OE1' ' A' ' 4' ' ' GLN . . . 49.7 -105.42 0.15 Allowed Glycine 0 C--N 1.335 0.483 0 CA-C-N 115.579 -0.737 . . . . 0.0 114.476 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.3 mt -52.66 -41.4 63.77 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 122.609 0.364 . . . . 0.0 111.446 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.91 -41.96 97.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.037 0.446 . . . . 0.0 110.246 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.465 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 77.0 t80 -65.95 -54.46 26.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.13 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.472 ' O ' HG12 ' B' ' 16' ' ' ILE . 59.3 mt -55.34 -47.88 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.363 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.4 ttm105 -58.83 -44.4 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.441 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.1 m -67.58 -41.36 84.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.037 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 11' ' ' TYR . 78.5 t -63.7 -54.21 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.439 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.472 HG12 ' O ' ' B' ' 12' ' ' ILE . 38.5 pt -60.96 -33.51 55.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -64.35 -50.4 67.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.462 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.12 -46.62 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.441 ' O ' ' HD2' ' B' ' 23' ' ' ARG . 92.2 m -61.57 -22.16 64.94 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 -57.66 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.342 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -54.56 -39.81 68.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -79.29 5.39 12.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' B' ' 19' ' ' CYS . 2.2 ptm85 -124.48 -10.08 7.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.7 m95 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.318 179.745 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.413 HD13 HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.39 -46.62 80.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 111.007 -179.176 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.4 ' OE1' ' HA2' ' B' ' 8' ' ' GLY . 0.0 OUTLIER -69.28 -46.94 65.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.202 0.525 . . . . 0.0 109.589 179.282 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.8 m -56.22 -47.36 78.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.636 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.558 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 10.3 tp -76.56 -14.01 60.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.173 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.518 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 52.4 t -72.83 -25.85 61.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.3 m -83.13 -25.63 31.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.284 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.558 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 1.1 p -93.42 -73.84 0.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.554 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.553 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 8.3 t70 -73.22 -55.32 6.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.547 0.689 . . . . 0.0 109.85 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 120.52 132.67 4.32 Favored Glycine 0 N--CA 1.442 -0.93 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.409 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.8 p -99.49 140.31 33.87 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.088 0.471 . . . . 0.0 109.988 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -98.11 160.63 14.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.806 -179.206 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.8 ttt -58.35 -38.08 76.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.302 0.572 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.1 -47.58 82.8 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.057 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -37.91 82.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.226 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 13' ' ' SER . 7.7 mt -71.6 -40.62 69.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.212 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -61.65 -25.19 67.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.758 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.34 -27.21 66.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.3 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD11 HD13 ' A' ' 3' ' ' LEU . 10.9 mt -88.85 -10.49 47.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.436 0.636 . . . . 0.0 109.729 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.366 -179.335 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -100.71 100.23 10.89 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 111.294 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.573 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.7 mm? -116.15 116.86 28.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 m -87.56 112.19 22.01 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.46 -101.94 0.05 OUTLIER Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.439 -0.8 . . . . 0.0 114.718 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.7 mt -51.65 -40.18 59.5 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.779 0.432 . . . . 0.0 111.835 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.33 -40.38 96.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.095 0.474 . . . . 0.0 110.254 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.521 ' O ' HG23 ' B' ' 15' ' ' VAL . 30.2 t80 -71.68 -49.28 41.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.909 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.419 ' O ' HG12 ' B' ' 16' ' ' ILE . 89.1 mt -54.3 -44.05 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.493 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 13' ' ' ARG . 23.7 ttm105 -61.67 -41.0 96.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.72 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -68.35 -41.04 81.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 11' ' ' TYR . 91.9 t -62.29 -56.69 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 12' ' ' ILE . 26.4 pt -59.78 -32.94 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -178.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -64.09 -53.02 56.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.63 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.806 HD12 HD11 ' A' ' 17' ' ' LEU . 64.6 mt -69.83 -43.89 79.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.0 m -58.9 -38.63 79.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.656 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.84 43.26 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -58.89 -35.67 73.41 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -84.26 17.56 2.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.635 0.731 . . . . 0.0 109.769 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -126.42 -38.38 2.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.955 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 60.7 m95 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.449 -179.541 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.62 -46.68 86.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 4' ' ' GLN . 5.8 mt-30 -72.34 -36.64 68.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.387 0.613 . . . . 0.0 109.85 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.8 m -64.74 -55.44 19.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.687 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 18.4 tp -68.88 -13.93 62.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 0.0 110.934 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -67.91 -18.62 64.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.09 0.472 . . . . 0.0 109.878 178.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.6 7.54 44.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.543 0.687 . . . . 0.0 109.643 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.8 m -130.79 -71.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.097 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.41 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 11.2 t0 -77.46 -58.85 3.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.69 155.75 10.79 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.203 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 m -117.91 137.38 52.86 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.65 166.05 15.65 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.487 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 25.9 ttt -58.17 -47.17 84.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 0.0 110.708 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -43.03 85.11 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.864 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -48.98 77.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.993 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.806 HD11 HD12 ' B' ' 18' ' ' ILE . 1.9 pp -76.87 -31.03 56.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.16 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.1 m -65.77 -20.75 66.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.747 0.308 . . . . 0.0 110.55 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.95 -27.22 68.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.07 0.462 . . . . 0.0 110.101 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.9 mt -86.72 -17.52 33.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.523 0.678 . . . . 0.0 109.533 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.6 m . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.948 -179.837 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.227 -0.131 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -112.21 105.88 14.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.875 0.369 . . . . 0.0 110.479 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.425 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.0 mm? -118.32 143.94 46.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.015 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.51 114.25 24.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.42 -101.26 0.04 OUTLIER Glycine 0 C--N 1.335 0.498 0 CA-C-N 115.693 -0.685 . . . . 0.0 114.32 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -52.97 -41.27 64.39 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.69 0.396 . . . . 0.0 111.642 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.35 -40.79 98.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.168 0.508 . . . . 0.0 110.104 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.437 ' O ' HG23 ' B' ' 15' ' ' VAL . 53.5 t80 -67.31 -52.13 44.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.887 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.462 ' O ' HG12 ' B' ' 16' ' ' ILE . 75.3 mt -56.16 -45.58 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.124 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 13' ' ' ARG . 24.5 ttm105 -59.85 -43.34 94.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.329 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 m -68.44 -38.89 81.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 11' ' ' TYR . 76.6 t -64.53 -56.2 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.462 HG12 ' O ' ' B' ' 12' ' ' ILE . 33.0 pt -59.3 -32.45 48.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.554 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.42 -49.41 75.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.001 0.429 . . . . 0.0 110.276 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.7 mt -69.6 -46.71 74.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.628 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.5 m -57.36 -38.43 74.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.923 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.52 -49.52 26.12 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.757 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 16.1 m -58.81 -34.96 72.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.843 0.354 . . . . 0.0 111.028 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -84.56 17.37 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.702 0.763 . . . . 0.0 109.82 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -126.59 -38.44 2.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.855 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 60.4 m95 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.49 -179.596 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.098 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.38 -60.37 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.11 0.256 . . . . 0.0 111.451 -178.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -65.67 -31.48 72.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.904 0.383 . . . . 0.0 110.377 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.429 ' N ' ' HG2' ' A' ' 4' ' ' GLN . 96.9 m -64.92 -47.68 76.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.486 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.5 mt -75.73 -11.56 60.02 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.78 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 11.5 m -66.27 -25.53 66.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.895 0.379 . . . . 0.0 110.218 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.6 m -92.34 -1.24 57.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.114 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 -75.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.198 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.86 -54.46 5.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.247 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.42 179.01 15.64 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.052 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.0 131.45 23.76 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.603 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -91.1 175.14 7.06 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.7 ttt -57.97 -38.56 76.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.149 0.5 . . . . 0.0 110.715 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -46.25 88.3 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.105 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -42.08 82.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 13' ' ' SER . 1.4 mt -72.91 -40.38 65.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.656 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 m -62.15 -21.02 64.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.74 -25.23 67.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.16 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.06 -1.97 53.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.334 0.588 . . . . 0.0 109.797 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.036 -179.353 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -114.39 105.07 12.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.924 0.392 . . . . 0.0 110.807 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.432 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -119.69 137.06 54.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.348 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -116.29 115.46 25.98 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.692 -0.403 . . . . 0.0 112.075 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.53 -105.73 0.29 Allowed Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.696 -0.683 . . . . 0.0 113.967 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 92.8 mt -49.96 -47.82 52.39 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.766 0.333 . . . . 0.0 111.212 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.432 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.7 mm-40 -61.73 -37.07 82.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.432 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 74.4 t80 -68.06 -49.54 60.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.455 ' O ' HG12 ' B' ' 16' ' ' ILE . 51.9 mt -56.73 -47.37 82.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.825 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 39.3 mtm105 -60.91 -40.04 91.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.288 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.5 m -69.55 -41.75 75.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.756 0.312 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.1 t -63.85 -55.23 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.237 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.455 HG12 ' O ' ' B' ' 12' ' ' ILE . 31.0 pt -59.51 -31.33 46.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.379 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -64.11 -49.17 73.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 110.113 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.98 -45.88 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.552 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.6 m -57.73 -41.48 81.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.44 -47.58 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.838 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -57.1 -34.72 68.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.387 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.8 m -74.75 -14.07 60.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.409 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.19 -14.43 18.51 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.691 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 14.9 m95 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.976 0.417 . . . . 0.0 110.326 179.809 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.226 -0.147 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.12 -57.3 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -28.55 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.408 . . . . 0.0 110.752 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 m -68.86 -48.0 64.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.134 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 10.8 tp -69.04 -17.7 63.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 m -68.86 -18.66 64.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.914 0.388 . . . . 0.0 110.268 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.1 t -91.67 -14.97 29.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.018 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 3.6 p -106.9 -72.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.675 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.458 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 26.7 t70 -79.55 -50.12 11.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.39 0.614 . . . . 0.0 109.979 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.7 -177.67 17.23 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.589 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.98 143.04 29.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.096 0.474 . . . . 0.0 110.629 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -86.91 168.1 13.7 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.145 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.4 ttt -57.06 -37.88 72.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.292 0.567 . . . . 0.0 110.628 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -46.24 89.3 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.281 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -58.25 -41.26 83.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.211 -179.582 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -72.94 -38.3 66.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.362 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.8 m -63.59 -20.29 65.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.486 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.76 -24.92 66.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.5 mt -91.14 -5.47 55.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.396 0.617 . . . . 0.0 109.653 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 93.1 m . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.577 -179.813 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.587 0.232 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 55.5 mtt85 -122.25 103.67 8.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.17 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.418 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -112.63 120.29 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 67.4 m -102.5 116.59 32.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.45 -100.95 0.05 OUTLIER Glycine 0 C--N 1.335 0.516 0 CA-C-N 115.584 -0.735 . . . . 0.0 114.557 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.4 mt -53.1 -43.86 67.17 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 122.503 0.321 . . . . 0.0 111.34 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.36 -38.86 92.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.186 0.517 . . . . 0.0 110.161 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.418 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 35.9 t80 -66.43 -56.26 11.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.173 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.444 ' O ' HG12 ' B' ' 16' ' ' ILE . 60.9 mt -55.28 -46.36 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.357 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -58.64 -44.03 89.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.501 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 19.4 m -68.99 -39.8 79.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.98 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.3 -53.51 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.335 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.444 HG12 ' O ' ' B' ' 12' ' ' ILE . 35.9 pt -60.38 -31.86 49.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.506 0.193 . . . . 0.0 111.427 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -65.48 -52.44 52.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.59 -44.3 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.385 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.7 m -59.11 -31.48 68.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.175 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.88 -50.96 29.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 9.6 m -63.5 -15.76 58.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.712 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 56.8 m -75.42 -6.81 51.96 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.616 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -37.23 3.7 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 3.2 m95 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.253 -179.676 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.226 -0.151 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.2 tp -53.92 -47.79 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 111.624 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -76.67 -42.76 40.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.303 0.573 . . . . 0.0 110.006 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.2 m -58.96 -50.08 75.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.173 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.89 -17.9 64.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.513 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 53.2 t -67.14 -24.17 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.5 m -89.11 -40.55 12.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.055 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.56 -58.17 1.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.386 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 142.75 163.61 9.79 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.529 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 p -139.72 152.77 46.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 20.5 m -113.73 173.78 6.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.325 0.583 . . . . 0.0 111.337 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ttp -60.08 -32.45 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.806 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -49.47 76.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.954 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.88 -38.76 86.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 13' ' ' SER . 8.0 mt -70.51 -41.08 73.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.648 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -62.06 -24.64 67.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.69 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.3 -26.96 68.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.164 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.0 mt -88.28 -13.15 41.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.486 0.66 . . . . 0.0 109.694 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.8 m . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.135 -179.377 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 7' ' ' CYS . 3.9 mpt_? -118.02 93.99 4.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 111.038 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.475 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.6 mm? -110.34 124.58 51.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.553 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -100.83 114.79 28.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.12 -100.76 0.04 OUTLIER Glycine 0 C--N 1.336 0.569 0 CA-C-N 115.705 -0.68 . . . . 0.0 114.582 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 tp -53.44 -39.8 64.69 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 122.486 0.315 . . . . 0.0 111.31 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -65.01 -40.65 95.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.284 0.564 . . . . 0.0 109.768 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.516 ' CD2' ' HG2' ' A' ' 4' ' ' GLN . 53.4 t80 -66.21 -53.29 39.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.833 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.448 ' O ' HG12 ' B' ' 16' ' ' ILE . 65.9 mt -54.54 -47.09 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.125 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 13' ' ' ARG . 27.5 ttm105 -59.44 -44.63 92.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.439 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.2 m -68.03 -38.7 82.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.945 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 17' ' ' LEU . 61.8 t -64.2 -57.51 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.448 HG12 ' O ' ' B' ' 12' ' ' ILE . 31.0 pt -58.3 -32.29 44.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.526 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -63.12 -51.47 66.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.176 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.77 -47.74 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.499 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.6 m -55.19 -34.98 64.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.724 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -81.64 -53.21 6.43 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.065 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -52.51 -34.29 48.95 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.7 m -69.39 -8.42 46.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 8.5 ptp180 -121.58 1.93 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.044 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 11.5 m95 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.374 179.821 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.111 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.81 -44.76 82.31 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.516 ' HG2' ' CD2' ' B' ' 11' ' ' TYR . 9.5 mt-30 -70.44 -46.44 63.87 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.9 m -55.31 -49.25 72.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.576 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.645 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 6.1 mt -78.11 -13.24 59.94 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.497 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.456 ' O ' ' HG3' ' B' ' 5' ' ' ARG . 50.6 t -73.24 -29.14 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.248 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -82.31 -22.79 35.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.327 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.645 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -97.02 -71.9 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -74.38 -57.69 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.442 0.639 . . . . 0.0 109.51 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 126.5 141.92 5.56 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.863 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.72 132.11 56.73 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.66 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 97.6 p -99.1 177.04 5.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.037 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ttt -57.48 -35.88 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.152 0.501 . . . . 0.0 110.244 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -49.72 76.06 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.318 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.71 -38.85 82.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.523 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 13' ' ' SER . 2.6 mt -72.6 -40.92 66.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.739 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.8 m -61.7 -23.42 66.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.94 -23.1 67.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.299 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.12 1.02 49.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.27 0.557 . . . . 0.0 109.87 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.221 -179.251 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 6.4 mmt85 -84.15 92.94 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.943 0.402 . . . . 0.0 111.324 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.0 mt -112.54 101.69 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.908 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 m -85.24 112.23 20.56 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.52 -101.36 0.07 OUTLIER Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.353 -0.84 . . . . 0.0 114.721 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -50.47 -40.86 52.03 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 122.95 0.5 . . . . 0.0 112.103 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.93 -43.21 98.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 110.565 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.485 ' O ' HG23 ' B' ' 15' ' ' VAL . 28.4 t80 -69.58 -49.84 50.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.052 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -54.3 -44.61 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.9 ttm105 -60.87 -42.01 97.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.031 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -70.66 -36.23 73.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD21 ' A' ' 17' ' ' LEU . 75.6 t -62.37 -56.3 18.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 15.5 pt -61.2 -31.2 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.283 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -67.58 -54.77 17.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.698 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.69 HD12 HD22 ' A' ' 17' ' ' LEU . 71.3 mt -65.62 -44.13 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.059 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 m -58.17 -42.08 85.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.053 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.24 66.02 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 26.6 m -58.54 -39.57 80.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.314 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -73.45 -15.12 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.252 0.548 . . . . 0.0 110.405 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -89.37 -37.78 14.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.218 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 37.6 m95 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.31 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.224 -0.253 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -50.72 70.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.755 0.312 . . . . 0.0 111.412 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 5.4 mt-30 -70.75 -36.68 73.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.371 0.605 . . . . 0.0 110.308 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.0 m -66.3 -47.24 74.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.468 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 14.2 tp -67.54 -11.01 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.103 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 17.9 m -64.4 -23.41 67.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.964 0.411 . . . . 0.0 110.571 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 m -101.37 -22.29 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.511 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -82.94 -51.24 7.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.928 0.394 . . . . 0.0 110.79 179.396 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.484 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 19.6 t70 -111.15 -53.49 2.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.732 0.777 . . . . 0.0 109.504 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 118.72 136.59 5.44 Favored Glycine 0 N--CA 1.438 -1.171 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.078 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.85 139.93 30.28 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 m -104.35 170.99 7.58 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.051 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ttt -67.34 -30.35 70.15 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -57.14 14.31 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.287 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -42.25 99.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.146 0.498 . . . . 0.0 110.21 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.69 HD22 HD12 ' B' ' 18' ' ' ILE . 4.8 tt -60.41 -44.93 95.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.415 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.8 m -62.39 -34.67 77.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 0.0 110.515 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.63 -26.51 67.1 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.246 0.546 . . . . 0.0 110.093 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -82.59 -25.01 33.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.684 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.754 -179.728 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 121.345 0.593 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 95.4 mtt-85 -94.01 91.25 6.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.418 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.2 mt -106.71 110.31 22.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.823 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -98.34 115.61 28.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.976 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.8 -102.6 0.08 OUTLIER Glycine 0 C--N 1.333 0.398 0 CA-C-N 115.62 -0.718 . . . . 0.0 114.287 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.08 -42.49 65.92 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 122.536 0.334 . . . . 0.0 111.488 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.28 -38.08 89.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.09 0.472 . . . . 0.0 110.339 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.43 ' O ' HG23 ' B' ' 15' ' ' VAL . 73.7 t80 -69.9 -54.51 13.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.162 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -54.38 -45.71 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.287 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -60.86 -42.14 97.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.512 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.2 m -71.97 -37.93 69.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.965 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 11' ' ' TYR . 61.6 t -61.32 -54.41 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.572 0.225 . . . . 0.0 110.673 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 pt -60.93 -31.94 51.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.746 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -66.56 -49.5 66.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.046 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.49 -46.66 95.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.4 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.53 -41.88 86.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.769 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.97 -47.22 66.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.787 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -57.04 -35.28 69.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 111.302 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m -70.91 -19.36 62.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.306 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -18.93 21.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.505 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.324 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.086 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.3 tp -58.15 -52.92 63.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.264 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.42 ' H ' ' HG3' ' A' ' 4' ' ' GLN . 7.1 mt-30 -64.08 -39.23 93.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.409 0.624 . . . . 0.0 109.611 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -62.03 -56.67 16.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.192 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 6' ' ' LEU . 9.7 mt -64.87 -19.67 66.01 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.363 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.586 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 1.7 m -64.26 -18.3 64.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 109.934 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.9 t -106.1 -43.29 4.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.525 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -66.47 -45.61 79.14 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.243 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -111.41 -43.25 3.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 111.611 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.56 122.79 5.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.729 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 p -100.68 178.84 4.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.861 0.362 . . . . 0.0 111.34 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 p -113.13 168.31 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.625 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.8 ttm -60.12 -35.26 74.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 110.697 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -52.3 65.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.29 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.13 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.45 -39.75 94.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.511 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -67.88 -19.98 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.068 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.23 -23.55 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.059 0.457 . . . . 0.0 110.331 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.0 -9.73 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.423 0.63 . . . . 0.0 109.633 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.644 -179.624 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -113.13 91.06 3.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.933 0.397 . . . . 0.0 110.84 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.51 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.1 mm? -109.51 116.49 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.631 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 96.3 m -96.84 113.72 25.29 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.39 -100.42 0.05 OUTLIER Glycine 0 C--N 1.336 0.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.293 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.574 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 89.1 mt -49.87 -47.21 52.02 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 122.485 0.314 . . . . 0.0 111.266 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.7 mm-40 -62.27 -38.61 89.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.649 ' CD1' ' HG3' ' A' ' 4' ' ' GLN . 44.8 t80 -65.01 -49.78 68.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.429 ' O ' HG12 ' B' ' 16' ' ' ILE . 55.0 mt -57.24 -48.46 82.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.213 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 39.4 mtm105 -59.86 -43.14 94.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.494 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -67.63 -39.97 84.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.49 HG22 ' HB3' ' A' ' 17' ' ' LEU . 48.3 t -65.89 -55.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.405 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.429 HG12 ' O ' ' B' ' 12' ' ' ILE . 30.9 pt -57.55 -31.29 38.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.424 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.29 -48.49 77.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 110.122 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 72.3 mt -67.17 -50.25 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 m -62.08 -18.52 60.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.423 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -95.57 -53.15 3.84 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.054 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.8 m -54.52 -36.04 63.82 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -74.62 -5.03 40.69 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 9.1 ptp180 -115.62 -11.36 11.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.769 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.7 m95 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.349 179.653 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.225 -0.193 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.9 tp -58.42 -45.87 87.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 111.438 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.649 ' HG3' ' CD1' ' B' ' 11' ' ' TYR . 2.1 mp0 -74.73 -42.62 57.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.401 0.62 . . . . 0.0 109.715 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.3 m -61.12 -50.73 72.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.534 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 19.1 tp -63.26 -17.41 62.46 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.558 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 43.8 t -67.51 -21.43 65.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.283 0.563 . . . . 0.0 109.605 178.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.1 m -95.32 -34.14 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -73.36 -58.28 3.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.656 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -101.31 -44.85 5.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.21 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 121.69 148.75 7.91 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.413 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.2 p -125.18 140.02 53.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.096 0.448 . . . . 0.0 110.048 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.667 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 88.9 p -109.99 177.5 4.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.364 -0.38 . . . . 0.0 109.975 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.4 ttt -58.33 -31.49 67.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.249 0.547 . . . . 0.0 110.262 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -52.76 64.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.485 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -43.64 96.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.997 0.427 . . . . 0.0 110.888 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 13' ' ' SER . 2.9 mt -63.12 -50.96 68.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.139 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -66.17 -24.65 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.451 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.44 -31.76 71.3 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.727 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -83.01 -11.49 58.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.374 0.607 . . . . 0.0 109.642 179.571 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.704 179.587 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.456 -0.163 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -105.65 108.71 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.928 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.9 mm? -119.66 146.69 45.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 20.0 m -112.48 114.27 26.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.09 -98.09 0.01 OUTLIER Glycine 0 C--N 1.337 0.627 0 O-C-N 124.035 0.834 . . . . 0.0 114.506 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.8 mt -51.32 -41.42 60.51 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.662 0.385 . . . . 0.0 111.708 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -35.17 74.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -66.84 -48.5 68.7 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.425 ' O ' HG12 ' B' ' 16' ' ' ILE . 76.7 mt -60.93 -40.59 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.777 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' B' ' 9' ' ' LEU . 2.8 tpp180 -56.94 -48.23 78.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.685 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -68.95 -37.8 79.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.03 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.84 -54.48 33.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.072 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 12' ' ' ILE . 28.2 pt -61.52 -28.9 44.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.552 0.215 . . . . 0.0 110.963 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.83 -52.36 30.75 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.01 -44.79 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.348 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.57 -6.58 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.713 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -109.67 -54.74 2.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.498 0.19 . . . . 0.0 110.932 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 18.0 m -56.36 -36.42 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 25.3 m -77.9 0.26 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.646 0.26 . . . . 0.0 111.61 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 4.1 ptp180 -112.67 -17.95 12.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.421 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 17.7 m95 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 0.0 110.408 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.079 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 6.0 mt -55.08 -47.89 74.27 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.175 0.297 . . . . 0.0 111.728 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -71.21 -41.36 70.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.0 109.75 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.0 m -59.07 -52.19 66.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.645 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 7.5 mt -78.35 -8.36 58.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.29 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.584 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -69.85 -27.62 64.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.955 0.407 . . . . 0.0 110.002 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.7 m -90.54 -1.86 57.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.159 0.504 . . . . 0.0 110.167 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.482 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.97 -72.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.638 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -82.51 -55.24 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.882 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.37 172.56 13.47 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.848 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.7 m -129.22 138.29 51.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.759 0.314 . . . . 0.0 110.365 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.74 169.27 9.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.717 0.294 . . . . 0.0 111.051 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.2 tpt -53.8 -49.91 67.29 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.223 0.535 . . . . 0.0 111.035 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -48.48 73.07 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.72 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -42.46 84.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.504 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.61 -37.97 70.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.723 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 m -65.65 -19.63 65.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.12 -22.47 65.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.086 0.469 . . . . 0.0 110.37 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.99 -4.06 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.711 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.682 -179.553 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 5.3 mpt_? -102.01 110.4 22.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.978 0.418 . . . . 0.0 111.174 -179.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.469 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -124.13 128.94 50.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.088 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 m -108.66 119.46 39.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.58 -108.18 0.65 Allowed Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.363 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 18.3 tp -54.28 -39.11 66.59 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 122.475 0.31 . . . . 0.0 111.352 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -63.94 -39.82 95.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.148 0.499 . . . . 0.0 109.985 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . 0.469 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 46.8 t80 -69.66 -53.06 20.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.943 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -51.96 -45.35 40.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.887 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' B' ' 13' ' ' ARG . 27.9 ttm105 -61.44 -42.61 99.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.295 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m -69.21 -37.58 78.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.781 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.1 t -63.02 -58.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.71 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 21.4 pt -57.38 -30.9 36.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.437 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -63.82 -47.46 80.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.194 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.7 -49.76 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.655 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 m -59.82 -40.72 89.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.474 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.07 -45.8 72.81 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.886 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 23.9 m -59.7 -37.71 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.726 0.298 . . . . 0.0 111.08 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.7 m -74.1 -13.38 60.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.345 0.593 . . . . 0.0 110.43 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -91.76 -37.51 12.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.158 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 24.9 m95 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.407 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.225 -0.199 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.405 ' CD2' HD13 ' A' ' 20' ' ' LEU . 68.6 tp -58.05 -55.3 36.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.566 0.222 . . . . 0.0 110.943 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -37.33 87.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.286 0.565 . . . . 0.0 110.204 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.5 m -65.42 -52.17 55.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.639 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 9.5 tp -68.37 -21.37 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.741 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 5.4 m -67.69 -17.03 64.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.92 0.391 . . . . 0.0 110.076 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.55 -25.33 19.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.882 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.451 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 5.4 p -96.35 -74.88 0.55 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.17 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.24 -44.69 44.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.362 0.601 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.78 175.67 24.75 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.836 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -142.05 158.63 43.54 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.43 174.07 6.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.5 ttt -56.04 -35.61 67.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.354 0.597 . . . . 0.0 110.793 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -49.13 78.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.548 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -48.66 78.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.041 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.83 -42.34 97.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.991 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -68.79 -26.37 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.613 0.244 . . . . 0.0 110.364 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.74 65.21 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' A' ' 3' ' ' LEU . 14.6 tp -72.83 -23.04 60.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.823 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.795 179.743 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.025 0.44 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.417 ' HA ' ' OE1' ' B' ' 2' ' ' GLU . 40.6 tp10 -127.41 121.63 31.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.288 179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.442 ' HB3' ' C ' ' A' ' 12' ' ' CYS . 4.4 m -142.97 179.15 7.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.28 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.25 144.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -102.56 103.94 14.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.906 0.384 . . . . 0.0 110.829 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.459 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.9 mm? -113.6 133.72 55.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.55 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 21.7 m -114.68 114.5 25.73 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.45 -105.16 0.26 Allowed Glycine 0 C--N 1.334 0.437 0 CA-C-N 115.694 -0.685 . . . . 0.0 114.239 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.17 -42.22 65.98 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 122.611 0.365 . . . . 0.0 111.564 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.47 -39.25 92.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.143 0.497 . . . . 0.0 110.36 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.415 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 83.3 t80 -69.92 -54.49 13.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.228 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.464 ' O ' HG12 ' B' ' 16' ' ' ILE . 68.1 mt -53.24 -46.38 56.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.165 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.8 ttm105 -59.24 -43.75 92.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.412 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.2 m -68.8 -39.43 80.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.111 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.37 -53.21 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.415 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.464 HG12 ' O ' ' B' ' 12' ' ' ILE . 37.9 pt -60.41 -31.46 48.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.53 0.205 . . . . 0.0 111.221 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -64.08 -49.5 72.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.086 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 79.9 mt -67.31 -45.35 86.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.519 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 89.6 m -58.3 -41.76 85.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.27 -48.02 66.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.723 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 21.6 m -56.63 -36.72 69.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.286 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.0 m -72.87 -19.31 61.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.343 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 -17.97 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -88.83 -50.63 6.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.254 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.448 -0.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 121.079 0.466 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.42 153.07 37.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.355 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.9 tp -55.53 -45.87 77.13 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.73 0.412 . . . . 0.0 111.756 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -76.2 -39.81 53.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.39 0.614 . . . . 0.0 109.955 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.5 m -61.84 -52.88 62.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.118 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 tp -71.83 -9.57 58.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.237 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -68.6 -20.35 64.5 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.051 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.0 t -92.56 13.3 20.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.648 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -138.17 -68.99 0.45 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.966 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -77.04 -62.03 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.456 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 118.48 152.49 9.3 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' C ' ' HB3' ' B' ' 3' ' ' SER . 4.9 m -116.67 140.08 49.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.889 0.376 . . . . 0.0 110.212 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.58 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.8 OUTLIER -89.68 163.84 14.96 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 49.3 ttm -57.6 -42.44 83.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.492 . . . . 0.0 111.019 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.39 -42.45 91.75 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.225 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.09 -37.37 82.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.154 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 13' ' ' SER . 7.6 mt -70.64 -36.66 73.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.102 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -64.52 -29.85 70.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.023 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.94 -22.67 62.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.238 0.542 . . . . 0.0 109.762 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.8 tp -88.07 -17.24 31.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.406 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.4 m -83.16 64.94 7.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.754 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.437 -0.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.442 ' HG3' ' OG ' ' B' ' 3' ' ' SER . 12.7 pttp . . . . . 0 C--O 1.235 0.296 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.528 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -83.06 64.72 7.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.418 0.628 . . . . 0.0 110.335 -179.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.442 ' OG ' ' HG3' ' B' ' 1' ' ' LYS . 13.4 m -81.87 112.33 18.9 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.531 -178.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.418 ' HB ' ' CD2' ' B' ' 6' ' ' LEU . 2.7 t -102.01 160.58 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 8.6 mpt_? -94.47 88.42 5.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.009 0.433 . . . . 0.0 111.972 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.45 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 1.3 mm? -107.79 105.82 15.83 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.5 m -100.32 119.49 38.5 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.23 -106.16 0.69 Allowed Glycine 0 C--N 1.334 0.438 0 CA-C-N 115.595 -0.729 . . . . 0.0 114.126 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.32 -41.03 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.531 0.332 . . . . 0.0 111.439 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -64.49 -40.3 95.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.371 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.577 ' CE2' ' HG2' ' A' ' 4' ' ' GLN . 55.4 t80 -67.25 -54.18 23.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.0 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.451 ' O ' HG12 ' B' ' 16' ' ' ILE . 66.6 mt -54.61 -48.55 71.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.339 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.8 ttm105 -58.12 -43.62 87.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.633 -179.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.8 m -69.88 -40.98 75.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.323 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.04 -50.8 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.523 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.451 HG12 ' O ' ' B' ' 12' ' ' ILE . 37.5 pt -62.51 -31.86 53.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.0 -179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -65.21 -50.64 65.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.216 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.1 mt -64.78 -47.46 88.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.655 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 34.5 m -57.82 -41.97 83.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.05 -49.09 60.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -56.09 -36.98 68.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.701 0.286 . . . . 0.0 111.461 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 14.4 m -72.61 -19.23 61.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.355 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.57 -18.17 23.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.536 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -88.59 -50.58 6.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.239 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.446 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 121.128 0.49 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.12 156.85 19.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.152 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.7 tp -56.94 -42.84 80.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.737 0.304 . . . . 0.0 111.693 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.577 ' HG2' ' CE2' ' B' ' 11' ' ' TYR . 5.3 mt-30 -76.75 -43.56 36.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.496 0.665 . . . . 0.0 109.708 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.4 m -60.74 -49.44 77.48 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.976 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 11.1 tp -66.59 -20.05 65.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.181 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 47.7 t -67.24 -17.9 65.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.1 0.476 . . . . 0.0 110.152 179.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -90.9 -19.9 22.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.981 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.428 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 3.5 p -102.12 -74.57 0.62 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.199 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 29.6 t70 -79.73 -26.4 40.82 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 109.951 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 91.87 143.4 11.95 Favored Glycine 0 N--CA 1.44 -1.072 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.079 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.36 133.77 47.87 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -87.28 158.89 18.97 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.576 -178.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.5 ttp -63.16 -36.23 82.93 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.8 m -57.29 -47.07 82.43 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.961 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.81 -44.37 94.02 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.999 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 13' ' ' SER . 12.8 mt -64.69 -37.73 88.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 m -63.11 -35.83 81.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.214 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.37 -24.48 64.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.268 0.556 . . . . 0.0 110.042 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -86.02 -22.27 27.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.633 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.6 m -86.39 62.53 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.69 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.404 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.861 0.362 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -87.05 56.35 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.368 0.604 . . . . 0.0 109.979 179.639 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m -81.55 119.51 23.86 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.28 -0.873 . . . . 0.0 112.061 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 t -120.23 158.2 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.563 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 25.1 mtt180 -99.07 101.4 12.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.232 0.539 . . . . 0.0 111.423 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.423 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.7 mm? -108.47 116.59 32.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.306 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.7 m -102.03 114.87 29.37 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 53.49 -102.02 0.1 OUTLIER Glycine 0 C--N 1.336 0.537 0 CA-C-N 115.692 -0.685 . . . . 0.0 114.257 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 90.7 mt -53.19 -41.21 65.03 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.524 0.33 . . . . 0.0 111.475 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.98 -40.17 96.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.132 0.491 . . . . 0.0 110.278 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.539 ' CE2' ' HG2' ' A' ' 4' ' ' GLN . 61.6 t80 -68.33 -55.64 11.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.881 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -52.18 -45.34 42.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.249 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.7 ttm105 -60.74 -40.52 92.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.173 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.6 m -70.21 -39.92 74.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.67 -53.34 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 25.1 pt -61.07 -31.19 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.7 0.286 . . . . 0.0 110.899 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -67.55 -50.32 59.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.058 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 82.9 mt -64.91 -43.81 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.503 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 m -62.34 -22.45 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.45 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -92.62 -46.78 7.43 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 121.153 -0.219 . . . . 0.0 110.594 178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.5 m -53.99 -28.95 41.03 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -17.31 64.69 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 11.2 ptp180 -110.91 0.47 17.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.985 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -107.85 -42.39 4.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.431 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.455 -0.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 121.041 0.448 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.35 158.37 22.19 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.1 tp -58.26 -54.22 49.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.792 0.269 . . . . 0.0 111.103 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.539 ' HG2' ' CE2' ' B' ' 11' ' ' TYR . 3.2 mt-30 -63.59 -38.96 93.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.411 0.624 . . . . 0.0 109.855 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -63.82 -54.77 29.8 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.553 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 tp -61.73 -23.94 66.47 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.066 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 50.6 m -58.47 -26.02 62.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 109.927 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 t -99.14 -39.86 8.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.643 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -62.28 -47.23 85.26 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.571 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.563 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 8.3 t0 -130.4 -44.69 1.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 131.32 158.69 9.25 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.415 -0.898 . . . . 0.0 113.227 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 m -136.48 152.32 50.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.912 -0.774 . . . . 0.0 108.912 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' B' ' 2' ' ' GLU . 0.8 OUTLIER -91.89 163.18 14.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.072 0.463 . . . . 0.0 111.563 -179.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.1 ttm -65.71 -42.72 90.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.379 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -59.71 -42.4 92.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.847 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.54 -45.89 84.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.256 0.551 . . . . 0.0 109.787 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -67.15 -35.35 79.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.429 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -64.84 -35.73 82.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.184 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.44 -26.02 66.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.15 0.5 . . . . 0.0 110.04 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -82.18 -24.84 34.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.41 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -88.82 57.87 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.757 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.402 -0.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.833 0.349 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.495 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -87.67 58.61 4.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.337 0.589 . . . . 0.0 109.803 179.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.4 m -83.08 118.11 23.32 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.043 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.59 161.57 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.586 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 36.6 mtt180 -105.66 96.37 6.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.202 0.525 . . . . 0.0 111.848 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.416 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.7 mm? -109.14 123.76 49.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.391 -0.822 . . . . 0.0 108.978 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 16.2 m -104.68 117.21 33.53 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.12 -101.16 0.05 OUTLIER Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.469 -0.787 . . . . 0.0 114.248 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 51.0 tp -50.74 -41.31 56.28 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.714 0.406 . . . . 0.0 111.292 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.8 -38.44 79.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.879 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.502 ' O ' HG23 ' B' ' 15' ' ' VAL . 60.0 t80 -65.25 -50.37 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.3 -43.77 86.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.274 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' B' ' 9' ' ' LEU . 0.0 OUTLIER -60.11 -39.64 86.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.913 179.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.9 m -69.87 -42.5 73.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.776 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.502 HG23 ' O ' ' B' ' 11' ' ' TYR . 95.6 t -61.27 -52.91 55.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.155 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.48 -31.22 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.617 0.246 . . . . 0.0 111.014 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -68.25 -46.91 69.19 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.94 -44.9 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.215 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 m -59.3 -37.86 78.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.778 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.22 -34.26 70.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.196 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 47.0 m -60.52 -38.35 84.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -68.86 -18.43 64.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.239 0.542 . . . . 0.0 110.517 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -90.91 -37.6 13.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.626 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 42.8 m95 -79.09 -45.96 19.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.148 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.699 -0.228 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 121.118 0.485 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.4 156.55 22.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.035 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -50.05 72.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.012 0.434 . . . . 0.0 110.816 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.424 HE21 ' HB3' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -68.41 -44.48 74.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.994 179.612 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.5 m -59.65 -56.65 19.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.866 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.38 -22.33 66.82 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.823 -0.171 . . . . 0.0 111.426 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.557 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 49.4 t -63.58 -23.41 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.9 t -97.23 -39.84 9.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.292 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.95 -46.42 84.76 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.177 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.586 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 10.5 t0 -127.77 -50.22 1.36 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.411 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.14 158.07 7.5 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.183 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.8 p -136.78 140.97 42.91 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' B' ' 2' ' ' GLU . 0.9 OUTLIER -91.07 159.19 16.25 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.309 0.576 . . . . 0.0 112.358 -177.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.5 ttt -63.61 -44.97 92.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.2 p -58.07 -43.45 86.95 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.231 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.77 -44.08 85.96 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.344 0.593 . . . . 0.0 109.759 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mp -70.43 -33.86 71.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.69 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.3 m -64.99 -26.01 68.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.741 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.31 -27.56 68.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.097 0.475 . . . . 0.0 110.318 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mt -88.35 -18.8 27.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.613 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.6 m -104.84 43.96 1.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.951 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.313 -0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.459 ' HB3' ' OD2' ' A' ' 10' ' ' ASP . 1.3 ttpm? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -57.06 122.66 12.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.043 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 1.1 p -165.76 -170.37 1.77 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.569 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 31.5 m -82.55 139.01 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.446 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 5.0 mpt_? -101.9 106.76 17.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.94 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 10.9 mt -119.87 125.38 48.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.552 -178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 50.5 m -99.51 113.78 26.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.444 ' O ' HG12 ' B' ' 12' ' ' ILE . . . 49.1 -100.97 0.04 OUTLIER Glycine 0 C--N 1.334 0.449 0 CA-C-N 115.544 -0.753 . . . . 0.0 114.537 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 95.2 mt -52.89 -40.74 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 122.505 0.322 . . . . 0.0 111.756 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.94 -38.54 91.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.269 0.556 . . . . 0.0 110.018 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -68.73 -48.76 62.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.094 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.444 HG12 ' O ' ' B' ' 8' ' ' GLY . 30.5 mm -56.22 -47.03 81.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -44.59 95.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.57 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 19.1 m -66.49 -42.03 88.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.384 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 70.2 t -62.79 -55.47 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.266 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.433 HG12 ' O ' ' B' ' 12' ' ' ILE . 29.1 pt -60.08 -30.49 45.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.5 0.191 . . . . 0.0 111.473 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -65.95 -51.21 60.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.308 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 72.6 mt -67.03 -44.61 88.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.7 m -61.95 -24.76 67.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.271 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -89.73 -54.02 4.25 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.947 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -52.8 -27.42 18.01 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.03 -18.38 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 7.6 ptp180 -119.28 0.83 11.24 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.187 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -112.49 72.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.034 0.445 . . . . 0.0 110.212 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.261 -0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 121.033 0.444 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.09 158.77 18.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.73 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.2 tp -56.92 -39.85 75.23 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.58 -36.43 22.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 110.062 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.7 m -66.05 -48.84 69.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.882 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.583 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 20.4 tp -69.54 -8.24 45.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.989 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -69.14 -22.58 63.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.993 0.425 . . . . 0.0 110.043 179.278 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.8 m -94.03 -30.54 14.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.95 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.583 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -77.92 -55.6 5.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.152 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' B' ' 1' ' ' LYS . 23.8 t70 -105.44 -60.3 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.146 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 132.64 175.16 13.85 Favored Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.628 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.522 ' O ' ' HB2' ' B' ' 3' ' ' SER . 39.1 m -131.82 139.45 48.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.885 0.374 . . . . 0.0 110.811 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.571 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -92.98 161.62 14.38 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.151 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.0 ttt -56.8 -38.46 72.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.329 0.585 . . . . 0.0 110.755 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.74 -46.39 89.3 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.37 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -41.24 85.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.627 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 13' ' ' SER . 0.7 OUTLIER -72.32 -41.11 66.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.294 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.8 m -62.26 -21.03 64.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.765 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.35 -24.7 65.74 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.981 0.42 . . . . 0.0 110.07 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -91.64 -5.37 53.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.454 0.645 . . . . 0.0 109.597 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.62 -16.1 27.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.269 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.841 0.353 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.56 148.03 43.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.553 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 63.5 m -157.28 -162.72 1.25 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.441 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.1 m -79.95 119.97 30.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.062 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 20.7 mmt180 -80.36 75.86 7.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.575 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.422 ' HB3' ' CA ' ' B' ' 11' ' ' TYR . 55.1 mt -90.33 102.45 15.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.505 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -98.88 115.33 28.61 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.649 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.507 ' HA2' ' OE1' ' A' ' 4' ' ' GLN . . . 56.31 -107.39 0.86 Allowed Glycine 0 C--N 1.33 0.224 0 CA-C-N 115.6 -0.727 . . . . 0.0 114.108 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 17.5 tp -53.4 -37.84 62.87 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 122.527 0.331 . . . . 0.0 111.659 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -62.79 -42.14 99.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.107 0.48 . . . . 0.0 110.212 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.422 ' CA ' ' HB3' ' B' ' 6' ' ' LEU . 86.2 t80 -68.52 -52.61 30.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.996 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -53.76 -48.46 61.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.384 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 13' ' ' ARG . 29.3 ttm105 -60.04 -44.12 94.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.842 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.2 m -70.99 -37.46 72.71 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.199 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.65 -53.52 45.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.484 0.183 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 20.1 pt -61.32 -31.79 51.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.624 0.25 . . . . 0.0 110.745 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -67.66 -49.65 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.207 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.64 -47.88 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.631 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 96.3 m -58.9 -40.88 85.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.027 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.36 -48.88 63.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.697 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.4 m -56.33 -37.7 70.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.323 . . . . 0.0 111.355 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.2 m -72.52 -18.81 61.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.353 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -18.57 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.716 0.293 . . . . 0.0 110.562 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -88.49 -50.33 6.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.899 0.381 . . . . 0.0 110.279 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.443 -0.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 121.123 0.487 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.29 154.86 22.71 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 tt -56.86 -51.9 67.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.892 0.377 . . . . 0.0 110.493 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.507 ' OE1' ' HA2' ' B' ' 8' ' ' GLY . 0.1 OUTLIER -62.74 -40.92 98.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.422 0.63 . . . . 0.0 110.172 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -65.67 -51.44 59.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.72 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 14.3 tp -63.04 -18.56 63.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.609 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.493 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 18.3 m -64.62 -18.29 64.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.248 0.547 . . . . 0.0 110.079 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -103.56 -36.85 7.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.345 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.64 -48.75 58.83 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.763 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.404 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 23.8 t70 -114.78 -44.53 3.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.134 0.492 . . . . 0.0 110.852 -179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.95 141.22 8.63 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.182 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' B' ' 3' ' ' SER . 5.6 p -122.44 161.65 23.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.72 0.295 . . . . 0.0 110.508 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.5 p -107.18 176.28 5.22 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.7 ttt -59.15 -34.36 72.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.21 0.529 . . . . 0.0 110.253 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -50.06 74.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.354 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.84 -42.11 92.89 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.372 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.33 -41.91 88.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.009 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.8 m -65.78 -20.88 66.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.71 -23.85 66.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.93 0.395 . . . . 0.0 110.585 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -93.04 -10.06 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.344 0.592 . . . . 0.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.6 m -89.63 63.66 6.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.668 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.361 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 17.4 pttt . . . . . 0 C--O 1.235 0.316 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -81.09 168.4 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.469 ' HB2' ' HA3' ' A' ' 11' ' ' GLY . 10.8 p -137.6 106.85 6.06 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.043 -0.663 . . . . 0.0 112.024 -178.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 12' ' ' CYS . 18.8 m -105.64 144.54 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.59 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 3.6 mpt_? -93.62 89.03 6.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.14 0.495 . . . . 0.0 111.572 -178.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 48.9 mt -108.66 102.09 11.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.657 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 55.3 m -86.86 112.91 22.21 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.56 -101.8 0.06 OUTLIER Glycine 0 C--N 1.335 0.481 0 CA-C-N 115.497 -0.774 . . . . 0.0 114.34 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.571 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 45.8 tp -47.61 -45.1 27.25 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 123.015 0.526 . . . . 0.0 111.905 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.445 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.6 mm-40 -59.98 -40.36 88.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.759 0.314 . . . . 0.0 111.375 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.458 ' O ' HG23 ' B' ' 15' ' ' VAL . 60.7 t80 -70.03 -45.0 68.11 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.415 ' O ' HG12 ' B' ' 16' ' ' ILE . 68.4 mt -57.34 -47.67 84.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.866 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 41.9 mtm105 -60.16 -39.06 85.06 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -69.79 -41.45 75.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.6 t -64.12 -54.71 28.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 12' ' ' ILE . 29.5 pt -59.91 -31.67 48.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.785 -0.189 . . . . 0.0 111.421 -178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -64.68 -54.89 24.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.444 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.502 HD12 ' CD1' ' A' ' 17' ' ' LEU . 18.4 mt -67.76 -40.97 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -57.07 -43.91 82.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.706 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.87 65.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.962 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 44.3 m -58.25 -38.91 77.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.636 0.255 . . . . 0.0 111.335 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.5 m -73.67 -14.13 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.405 0.621 . . . . 0.0 110.459 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -92.36 -37.86 12.36 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.335 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -81.11 -45.64 16.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.621 -0.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.142 0 CA-C-O 121.075 0.464 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.22 152.31 38.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.747 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.83 -51.83 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.992 0.182 . . . . 0.0 111.306 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -62.6 -42.8 99.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.396 0.617 . . . . 0.0 109.553 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.1 m -59.03 -43.56 91.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.78 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.564 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 1.4 tp -74.97 -22.44 58.55 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.51 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.59 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 46.3 m -63.96 -28.32 69.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.998 0.428 . . . . 0.0 110.52 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.2 m -86.66 -22.03 26.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.459 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.564 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -100.43 -74.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.66 -44.14 82.66 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.401 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.469 ' HA3' ' HB2' ' B' ' 3' ' ' SER . . . 90.84 101.82 1.22 Allowed Glycine 0 N--CA 1.442 -0.952 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' O ' HG22 ' B' ' 4' ' ' VAL . 1.7 p -70.42 155.72 40.31 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.398 0.618 . . . . 0.0 111.927 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.6 t -105.99 162.51 13.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.986 -1.007 . . . . 0.0 108.958 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.411 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 48.5 ttp -57.53 -35.63 70.54 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -44.47 96.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.416 -1.265 . . . . 0.0 111.104 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.78 -49.8 75.4 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.626 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' CD1' HD12 ' B' ' 18' ' ' ILE . 0.6 OUTLIER -72.33 -25.46 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.392 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.7 m -67.99 -32.13 72.31 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.17 -23.03 62.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.339 0.59 . . . . 0.0 109.676 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.0 tp -85.22 -21.19 29.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.326 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -88.05 61.74 6.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.556 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.433 -0.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.517 ' HD2' ' OG ' ' A' ' 13' ' ' SER . 37.8 pttt . . . . . 0 C--O 1.233 0.2 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -89.56 70.3 7.91 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.466 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.87 96.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.318 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.83 160.44 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 8.2 mpt_? -101.56 87.69 3.24 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.46 ' HB3' ' CA ' ' B' ' 11' ' ' TYR . 1.7 mm? -107.77 103.33 12.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 m -101.28 117.29 34.68 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.26 -106.41 0.73 Allowed Glycine 0 C--N 1.333 0.415 0 CA-C-N 115.597 -0.729 . . . . 0.0 114.021 178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -53.56 -41.01 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.498 0.319 . . . . 0.0 111.569 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -63.9 -38.22 90.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.113 0.482 . . . . 0.0 110.393 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.46 ' CA ' ' HB3' ' B' ' 6' ' ' LEU . 86.5 t80 -70.83 -54.23 12.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.014 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.474 ' O ' HG12 ' B' ' 16' ' ' ILE . 66.9 mt -53.36 -47.01 58.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.279 -179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.1 ttm105 -59.15 -46.55 88.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.449 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 21.8 m -67.52 -39.79 85.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.0 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 11' ' ' TYR . 53.6 t -63.57 -57.21 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.582 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.474 HG12 ' O ' ' B' ' 12' ' ' ILE . 28.4 pt -57.76 -37.35 59.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -178.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.11 -54.58 35.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.727 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.543 HD12 HD11 ' A' ' 17' ' ' LEU . 68.9 mt -68.66 -36.99 76.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.196 -179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.0 m -58.03 -31.64 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.26 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -91.17 -51.19 5.44 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.061 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.4 m -54.98 -19.69 7.38 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.33 -22.98 65.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.586 0.232 . . . . 0.0 111.285 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 1.6 ptp180 -115.26 -12.13 11.87 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.044 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . 0.403 ' CD1' ' HB1' ' B' ' 20' ' ' ALA . 17.7 m95 -102.27 70.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.009 0.433 . . . . 0.0 110.225 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 121.082 0.468 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.99 158.06 18.16 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.326 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.62 -40.78 75.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -80.49 -43.3 21.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.482 0.658 . . . . 0.0 109.73 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.5 m -60.36 -47.66 85.11 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.93 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 7.0 tp -66.66 -18.49 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.138 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 49.3 t -70.04 -17.82 63.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.286 0.565 . . . . 0.0 109.892 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.3 t -91.67 -27.94 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.779 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.535 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 2.9 p -91.61 -74.15 0.52 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.31 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.544 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 18.4 t70 -76.32 -34.21 59.03 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.497 0.665 . . . . 0.0 110.443 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 96.37 126.04 5.04 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.528 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.1 p -95.24 142.23 27.9 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -90.21 165.41 13.96 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.635 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -64.18 -37.13 86.36 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 m -58.97 -39.02 80.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.266 -1.334 . . . . 0.0 111.051 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.9 -53.46 53.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.023 0.44 . . . . 0.0 110.781 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.543 HD11 HD12 ' B' ' 18' ' ' ILE . 2.6 pp -71.24 -33.61 70.0 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -178.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 p -66.75 -31.53 72.23 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.335 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.78 -25.97 64.05 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.361 0.601 . . . . 0.0 109.68 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 tp -82.85 -16.79 46.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.365 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 m -84.01 44.06 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.273 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.531 -0.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.836 0.351 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -88.15 55.38 3.42 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.466 0.651 . . . . 0.0 109.767 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.4 m -83.88 124.31 30.84 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.141 -0.936 . . . . 0.0 112.259 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -121.45 164.52 18.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.444 178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.607 ' NH2' ' HA ' ' A' ' 10' ' ' ASP . 20.1 mtt180 -111.66 110.0 20.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.14 0.495 . . . . 0.0 111.887 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' B' ' 10' ' ' GLU . 1.7 mm? -123.66 153.64 40.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 m -120.69 119.23 32.2 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.37 -107.77 0.35 Allowed Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.054 -0.975 . . . . 0.0 114.512 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -51.48 -37.25 48.08 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 122.994 0.517 . . . . 0.0 112.199 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.401 ' HB3' HD12 ' B' ' 6' ' ' LEU . 15.8 mm-40 -61.35 -45.48 94.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.047 0.451 . . . . 0.0 110.45 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.555 ' O ' HG23 ' B' ' 15' ' ' VAL . 40.0 t80 -70.11 -48.49 57.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.046 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.454 ' O ' HG12 ' B' ' 16' ' ' ILE . 84.1 mt -54.41 -45.08 69.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.715 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' B' ' 13' ' ' ARG . 24.9 ttm105 -59.79 -41.45 91.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.654 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.0 m -65.96 -42.17 90.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.612 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.555 HG23 ' O ' ' B' ' 11' ' ' TYR . 50.3 t -63.92 -56.95 13.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.26 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.454 HG12 ' O ' ' B' ' 12' ' ' ILE . 38.9 pt -59.28 -34.08 52.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -65.2 -54.4 30.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.721 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.724 HD12 HD11 ' A' ' 17' ' ' LEU . 94.0 mt -67.2 -42.88 88.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.265 -179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 77.5 m -62.65 -27.22 69.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -88.44 -52.37 5.22 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.058 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -52.7 -28.47 22.03 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -16.5 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' B' ' 23' ' ' ARG . 7.1 ptp180 -120.39 3.71 10.78 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.919 -0.312 . . . . 0.0 111.425 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -113.69 -37.64 4.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.924 0.393 . . . . 0.0 110.565 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.631 -0.259 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 121.055 0.455 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.8 154.9 23.27 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.126 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 48.8 tp -55.62 -46.31 77.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.707 0.289 . . . . 0.0 111.162 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.443 HE21 ' HB3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -75.6 -38.89 58.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.233 0.54 . . . . 0.0 110.406 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 86.7 m -63.44 -45.45 90.83 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.944 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.96 -16.33 63.24 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.339 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 65.0 m -60.06 -25.42 65.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.7 0.286 . . . . 0.0 110.7 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.0 m -95.28 -38.44 10.54 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -51.28 61.99 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.504 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.607 ' HA ' ' NH2' ' B' ' 5' ' ' ARG . 10.0 t0 -128.13 -46.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 111.504 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 135.21 174.44 13.42 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.411 -0.9 . . . . 0.0 113.068 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p -147.79 146.58 29.22 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' B' ' 2' ' ' GLU . 0.8 OUTLIER -98.52 163.52 12.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.301 0.572 . . . . 0.0 112.294 -178.547 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.63 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 28.3 ttt -62.16 -49.29 76.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.767 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -57.87 -38.85 76.49 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.001 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.11 -48.87 78.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.54 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.724 HD11 HD12 ' B' ' 18' ' ' ILE . 3.2 pp -74.69 -28.11 60.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.705 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.7 m -65.44 -22.47 66.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.847 0.356 . . . . 0.0 110.183 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.67 -27.67 67.85 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.116 0.484 . . . . 0.0 109.822 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mp -82.68 -20.42 36.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 109.271 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.6 m -76.95 -39.77 49.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.96 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.434 -0.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.162 -0.311 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.501 ' HA ' ' OE1' ' B' ' 2' ' ' GLU . 6.3 tp10 -125.09 138.99 54.18 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -138.13 -171.97 3.15 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.386 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.9 t -102.68 156.27 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 2.2 mpt_? -110.81 95.79 5.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.884 0.373 . . . . 0.0 110.79 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.465 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.6 mm? -107.43 122.37 46.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.786 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 40.8 m -105.03 121.77 44.47 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.4 ' HA2' ' OE1' ' A' ' 4' ' ' GLN . . . 49.7 -105.42 0.15 Allowed Glycine 0 C--N 1.335 0.483 0 CA-C-N 115.579 -0.737 . . . . 0.0 114.476 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.3 mt -52.66 -41.4 63.77 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 122.609 0.364 . . . . 0.0 111.446 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.91 -41.96 97.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.037 0.446 . . . . 0.0 110.246 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.465 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 77.0 t80 -65.95 -54.46 26.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.13 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.472 ' O ' HG12 ' B' ' 16' ' ' ILE . 59.3 mt -55.34 -47.88 77.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.363 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 13' ' ' ARG . 26.4 ttm105 -58.83 -44.4 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.441 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.1 m -67.58 -41.36 84.26 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.037 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 11' ' ' TYR . 78.5 t -63.7 -54.21 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.439 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.472 HG12 ' O ' ' B' ' 12' ' ' ILE . 38.5 pt -60.96 -33.51 55.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -64.35 -50.4 67.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 110.462 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 76.6 mt -66.12 -46.62 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.441 ' O ' ' HD2' ' B' ' 23' ' ' ARG . 92.2 m -61.57 -22.16 64.94 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.54 -57.66 2.42 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.342 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 4.5 m -54.56 -39.81 68.12 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -79.29 5.39 12.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' B' ' 19' ' ' CYS . 2.2 ptm85 -124.48 -10.08 7.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.765 0.317 . . . . 0.0 110.91 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -94.89 72.41 3.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.048 0.451 . . . . 0.0 110.318 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 116.348 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 121.114 0.483 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.55 150.02 32.93 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.806 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.413 HD13 HD11 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.39 -46.62 80.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 111.007 -179.176 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' OE1' ' HA2' ' B' ' 8' ' ' GLY . 0.0 OUTLIER -69.28 -46.94 65.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.202 0.525 . . . . 0.0 109.589 179.282 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.8 m -56.22 -47.36 78.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.636 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.558 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 10.3 tp -76.56 -14.01 60.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.173 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.518 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 52.4 t -72.83 -25.85 61.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 178.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 93.3 m -83.13 -25.63 31.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.284 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.558 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 1.1 p -93.42 -73.84 0.55 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.554 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.553 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 8.3 t70 -73.22 -55.32 6.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.547 0.689 . . . . 0.0 109.85 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 120.52 132.67 4.32 Favored Glycine 0 N--CA 1.442 -0.93 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.409 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.8 p -99.49 140.31 33.87 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.088 0.471 . . . . 0.0 109.988 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.565 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.7 OUTLIER -98.11 160.63 14.17 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.806 -179.206 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 23.8 ttt -58.35 -38.08 76.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.302 0.572 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.1 -47.58 82.8 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.057 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -37.91 82.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.226 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 13' ' ' SER . 7.7 mt -71.6 -40.62 69.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.212 179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.5 m -61.65 -25.19 67.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.758 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.34 -27.21 66.95 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.3 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD11 HD13 ' A' ' 3' ' ' LEU . 10.9 mt -88.85 -10.49 47.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.436 0.636 . . . . 0.0 109.729 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.2 m -82.28 -24.26 34.81 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.366 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.439 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.688 0.28 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.476 ' HA ' ' OE1' ' B' ' 2' ' ' GLU . 19.2 tp10 -81.21 133.97 35.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.067 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.544 ' HB3' ' C ' ' A' ' 12' ' ' CYS . 6.5 m -142.54 178.03 7.89 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.347 -179.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.01 144.35 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -100.71 100.23 10.89 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.953 0.406 . . . . 0.0 111.294 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.573 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.7 mm? -116.15 116.86 28.6 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 35.0 m -87.56 112.19 22.01 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.46 -101.94 0.05 OUTLIER Glycine 0 C--N 1.334 0.46 0 CA-C-N 115.439 -0.8 . . . . 0.0 114.718 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.7 mt -51.65 -40.18 59.5 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 122.779 0.432 . . . . 0.0 111.835 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -62.33 -40.38 96.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.095 0.474 . . . . 0.0 110.254 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.521 ' O ' HG23 ' B' ' 15' ' ' VAL . 30.2 t80 -71.68 -49.28 41.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.909 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.419 ' O ' HG12 ' B' ' 16' ' ' ILE . 89.1 mt -54.3 -44.05 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.493 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 13' ' ' ARG . 23.7 ttm105 -61.67 -41.0 96.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.72 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -68.35 -41.04 81.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 11' ' ' TYR . 91.9 t -62.29 -56.69 16.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.133 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.419 HG12 ' O ' ' B' ' 12' ' ' ILE . 26.4 pt -59.78 -32.94 50.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -178.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -64.09 -53.02 56.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.938 0.399 . . . . 0.0 110.63 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.806 HD12 HD11 ' A' ' 17' ' ' LEU . 64.6 mt -69.83 -43.89 79.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 62.0 m -58.9 -38.63 79.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.656 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.84 43.26 Favored 'General case' 0 C--O 1.223 -0.317 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.596 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.2 m -58.89 -35.67 73.41 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -84.26 17.56 2.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.635 0.731 . . . . 0.0 109.769 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -126.42 -38.38 2.12 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.955 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -92.26 74.26 5.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.449 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.336 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 121.157 0.504 . . . . 0.0 111.578 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.21 152.45 26.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.2 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.7 tp -58.62 -46.68 86.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 4' ' ' GLN . 5.8 mt-30 -72.34 -36.64 68.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.387 0.613 . . . . 0.0 109.85 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.8 m -64.74 -55.44 19.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.687 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 18.4 tp -68.88 -13.93 62.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.705 0.288 . . . . 0.0 110.934 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -67.91 -18.62 64.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.09 0.472 . . . . 0.0 109.878 178.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 t -93.6 7.54 44.31 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.543 0.687 . . . . 0.0 109.643 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.8 m -130.79 -71.43 0.58 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.097 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.41 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 11.2 t0 -77.46 -58.85 3.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.69 155.75 10.79 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.203 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.544 ' C ' ' HB3' ' B' ' 3' ' ' SER . 4.0 m -117.91 137.38 52.86 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.65 166.05 15.65 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.487 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 25.9 ttt -58.17 -47.17 84.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.017 0.437 . . . . 0.0 110.708 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.75 -43.03 85.11 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.864 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -48.98 77.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.993 -178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.806 HD11 HD12 ' B' ' 18' ' ' ILE . 1.9 pp -76.87 -31.03 56.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.16 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.1 m -65.77 -20.75 66.38 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.747 0.308 . . . . 0.0 110.55 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.95 -27.22 68.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.07 0.462 . . . . 0.0 110.101 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.9 mt -86.72 -17.52 33.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.523 0.678 . . . . 0.0 109.533 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.6 m -81.2 -38.57 26.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.948 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.436 -0.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.975 0.416 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -58.97 124.03 18.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.1 -170.98 3.19 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.914 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.95 148.33 5.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -112.21 105.88 14.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.875 0.369 . . . . 0.0 110.479 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.425 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.0 mm? -118.32 143.94 46.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.015 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 19.6 m -115.51 114.25 24.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.42 -101.26 0.04 OUTLIER Glycine 0 C--N 1.335 0.498 0 CA-C-N 115.693 -0.685 . . . . 0.0 114.32 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -52.97 -41.27 64.39 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.69 0.396 . . . . 0.0 111.642 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.35 -40.79 98.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.168 0.508 . . . . 0.0 110.104 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.437 ' O ' HG23 ' B' ' 15' ' ' VAL . 53.5 t80 -67.31 -52.13 44.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.887 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.462 ' O ' HG12 ' B' ' 16' ' ' ILE . 75.3 mt -56.16 -45.58 80.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.124 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 13' ' ' ARG . 24.5 ttm105 -59.85 -43.34 94.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.329 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 m -68.44 -38.89 81.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.823 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.437 HG23 ' O ' ' B' ' 11' ' ' TYR . 76.6 t -64.53 -56.2 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.462 HG12 ' O ' ' B' ' 12' ' ' ILE . 33.0 pt -59.3 -32.45 48.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.554 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.42 -49.41 75.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.001 0.429 . . . . 0.0 110.276 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.7 mt -69.6 -46.71 74.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.628 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 80.5 m -57.36 -38.43 74.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.923 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.52 -49.52 26.12 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.757 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 16.1 m -58.81 -34.96 72.1 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.843 0.354 . . . . 0.0 111.028 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -84.56 17.37 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.702 0.763 . . . . 0.0 109.82 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -126.59 -38.44 2.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.855 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -92.01 74.12 5.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.49 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 116.348 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 121.15 0.5 . . . . 0.0 111.591 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.01 156.23 36.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.018 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.38 -60.37 3.61 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.11 0.256 . . . . 0.0 111.451 -178.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -65.67 -31.48 72.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.904 0.383 . . . . 0.0 110.377 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.429 ' N ' ' HG2' ' A' ' 4' ' ' GLN . 96.9 m -64.92 -47.68 76.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.486 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.5 mt -75.73 -11.56 60.02 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.78 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 11.5 m -66.27 -25.53 66.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.895 0.379 . . . . 0.0 110.218 179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.6 m -92.34 -1.24 57.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.114 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.94 -75.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.198 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -79.86 -54.46 5.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.247 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.42 179.01 15.64 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.052 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.0 131.45 23.76 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.603 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -91.1 175.14 7.06 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.7 ttt -57.97 -38.56 76.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.149 0.5 . . . . 0.0 110.715 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -46.25 88.3 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.105 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.6 -42.08 82.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 13' ' ' SER . 1.4 mt -72.91 -40.38 65.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.656 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 36.6 m -62.15 -21.02 64.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.74 -25.23 67.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.16 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.06 -1.97 53.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.334 0.588 . . . . 0.0 109.797 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -95.99 -20.53 18.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.036 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.428 -0.351 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.446 ' HB3' ' OD2' ' A' ' 10' ' ' ASP . 1.3 ttpm? . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -57.55 120.74 8.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.815 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -165.24 -167.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.923 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.48 145.82 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -114.39 105.07 12.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.924 0.392 . . . . 0.0 110.807 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.432 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -119.69 137.06 54.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.348 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -116.29 115.46 25.98 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.692 -0.403 . . . . 0.0 112.075 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.53 -105.73 0.29 Allowed Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.696 -0.683 . . . . 0.0 113.967 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 92.8 mt -49.96 -47.82 52.39 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.766 0.333 . . . . 0.0 111.212 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.432 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.7 mm-40 -61.73 -37.07 82.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.432 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 74.4 t80 -68.06 -49.54 60.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.455 ' O ' HG12 ' B' ' 16' ' ' ILE . 51.9 mt -56.73 -47.37 82.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.825 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.591 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 39.3 mtm105 -60.91 -40.04 91.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.288 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.5 m -69.55 -41.75 75.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.756 0.312 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.1 t -63.85 -55.23 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.237 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.455 HG12 ' O ' ' B' ' 12' ' ' ILE . 31.0 pt -59.51 -31.33 46.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.379 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -64.11 -49.17 73.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.799 0.333 . . . . 0.0 110.113 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.98 -45.88 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.552 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.6 m -57.73 -41.48 81.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.44 -47.58 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.838 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 20.2 m -57.1 -34.72 68.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 111.387 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 13.8 m -74.75 -14.07 60.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.409 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.19 -14.43 18.51 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.691 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -94.46 60.67 2.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.976 0.417 . . . . 0.0 110.326 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 116.43 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 121.007 0.432 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.96 161.08 19.18 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.23 178.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.9 tp -55.12 -57.3 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.817 0.302 . . . . 0.0 111.817 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -28.55 62.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.958 0.408 . . . . 0.0 110.752 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 m -68.86 -48.0 64.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.134 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 10' ' ' ASP . 10.8 tp -69.04 -17.7 63.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.457 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.8 m -68.86 -18.66 64.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.914 0.388 . . . . 0.0 110.268 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.1 t -91.67 -14.97 29.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.018 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 3.6 p -106.9 -72.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.675 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.458 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 26.7 t70 -79.55 -50.12 11.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.39 0.614 . . . . 0.0 109.979 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.7 -177.67 17.23 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.589 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.98 143.04 29.23 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.096 0.474 . . . . 0.0 110.629 179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.555 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -86.91 168.1 13.7 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.145 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.4 ttt -57.06 -37.88 72.46 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.292 0.567 . . . . 0.0 110.628 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.45 -46.24 89.3 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.281 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.415 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -58.25 -41.26 83.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.211 -179.582 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 13' ' ' SER . 0.8 OUTLIER -72.94 -38.3 66.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.362 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.8 m -63.59 -20.29 65.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.486 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.76 -24.92 66.27 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.5 mt -91.14 -5.47 55.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.396 0.617 . . . . 0.0 109.653 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 93.1 m -95.16 5.74 50.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.577 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.486 -0.324 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -99.02 12.47 35.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 122.079 0.942 . . . . 0.0 110.01 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -130.02 166.08 20.85 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 114.036 -1.438 . . . . 0.0 109.87 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.91 164.09 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.587 0.232 . . . . 0.0 110.546 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 7' ' ' CYS . 55.5 mtt85 -122.25 103.67 8.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.17 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.418 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -112.63 120.29 41.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 67.4 m -102.5 116.59 32.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -178.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.45 -100.95 0.05 OUTLIER Glycine 0 C--N 1.335 0.516 0 CA-C-N 115.584 -0.735 . . . . 0.0 114.557 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.4 mt -53.1 -43.86 67.17 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 122.503 0.321 . . . . 0.0 111.34 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.36 -38.86 92.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.186 0.517 . . . . 0.0 110.161 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.418 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 35.9 t80 -66.43 -56.26 11.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.173 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.444 ' O ' HG12 ' B' ' 16' ' ' ILE . 60.9 mt -55.28 -46.36 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.357 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -58.64 -44.03 89.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.501 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 19.4 m -68.99 -39.8 79.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.98 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.3 -53.51 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.335 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.444 HG12 ' O ' ' B' ' 12' ' ' ILE . 35.9 pt -60.38 -31.86 49.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 120.506 0.193 . . . . 0.0 111.427 -179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -65.48 -52.44 52.88 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.59 -44.3 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.385 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 87.7 m -59.11 -31.48 68.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.175 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.88 -50.96 29.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 9.6 m -63.5 -15.76 58.77 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.712 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 56.8 m -75.42 -6.81 51.96 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.616 178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -37.23 3.7 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -86.65 75.16 9.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.253 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 116.415 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 121.127 0.489 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.18 157.67 18.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.611 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.2 tp -53.92 -47.79 70.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.837 0.351 . . . . 0.0 111.624 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -76.67 -42.76 40.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.303 0.573 . . . . 0.0 110.006 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.2 m -58.96 -50.08 75.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.173 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.89 -17.9 64.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.513 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.448 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 53.2 t -67.14 -24.17 65.87 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.5 m -89.11 -40.55 12.85 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -62.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.055 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -100.56 -58.17 1.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.386 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 142.75 163.61 9.79 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.529 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.9 p -139.72 152.77 46.93 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 20.5 m -113.73 173.78 6.25 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.325 0.583 . . . . 0.0 111.337 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.4 ttp -60.08 -32.45 70.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.806 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -49.47 76.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.954 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.88 -38.76 86.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 13' ' ' SER . 8.0 mt -70.51 -41.08 73.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.648 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -62.06 -24.64 67.21 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.69 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.3 -26.96 68.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.164 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.0 mt -88.28 -13.15 41.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.486 0.66 . . . . 0.0 109.694 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.8 m -91.31 -20.29 22.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.135 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.465 -0.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.551 0.215 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -57.85 127.9 34.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 61.6 m -157.96 -166.73 2.04 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.007 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 t -81.47 158.44 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 7' ' ' CYS . 3.9 mpt_? -118.02 93.99 4.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.959 0.409 . . . . 0.0 111.038 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.475 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.6 mm? -110.34 124.58 51.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.553 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.4 m -100.83 114.79 28.91 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.12 -100.76 0.04 OUTLIER Glycine 0 C--N 1.336 0.569 0 CA-C-N 115.705 -0.68 . . . . 0.0 114.582 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 16.9 tp -53.44 -39.8 64.69 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 122.486 0.315 . . . . 0.0 111.31 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -65.01 -40.65 95.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.284 0.564 . . . . 0.0 109.768 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.516 ' CD2' ' HG2' ' A' ' 4' ' ' GLN . 53.4 t80 -66.21 -53.29 39.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.833 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.448 ' O ' HG12 ' B' ' 16' ' ' ILE . 65.9 mt -54.54 -47.09 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.125 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' B' ' 13' ' ' ARG . 27.5 ttm105 -59.44 -44.63 92.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.439 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.2 m -68.03 -38.7 82.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.945 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 17' ' ' LEU . 61.8 t -64.2 -57.51 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.448 HG12 ' O ' ' B' ' 12' ' ' ILE . 31.0 pt -58.3 -32.29 44.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.526 -178.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -63.12 -51.47 66.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.176 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.77 -47.74 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.499 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.6 m -55.19 -34.98 64.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.724 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -81.64 -53.21 6.43 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.065 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.5 m -52.51 -34.29 48.95 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.7 m -69.39 -8.42 46.31 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 8.5 ptp180 -121.58 1.93 10.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.044 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -112.22 -41.82 3.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.374 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.47 -0.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 121.084 0.468 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.68 151.21 37.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.945 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.81 -44.76 82.31 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.516 ' HG2' ' CD2' ' B' ' 11' ' ' TYR . 9.5 mt-30 -70.44 -46.44 63.87 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 95.9 m -55.31 -49.25 72.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.576 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.645 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 6.1 mt -78.11 -13.24 59.94 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 121.122 -0.231 . . . . 0.0 111.497 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.456 ' O ' ' HG3' ' B' ' 5' ' ' ARG . 50.6 t -73.24 -29.14 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.029 -0.668 . . . . 0.0 109.248 178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -82.31 -22.79 35.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.327 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.645 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -97.02 -71.9 0.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.58 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -74.38 -57.69 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.442 0.639 . . . . 0.0 109.51 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 126.5 141.92 5.56 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.863 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.6 p -115.72 132.11 56.73 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.66 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 97.6 p -99.1 177.04 5.35 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.037 -179.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.9 ttt -57.48 -35.88 70.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.152 0.501 . . . . 0.0 110.244 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.2 -49.72 76.06 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.318 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -59.71 -38.85 82.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.523 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 13' ' ' SER . 2.6 mt -72.6 -40.92 66.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.739 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.8 m -61.7 -23.42 66.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.94 -23.1 67.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.299 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.12 1.02 49.44 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.27 0.557 . . . . 0.0 109.87 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 95.4 m -96.18 -26.64 15.38 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.221 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.43 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.484 ' HG3' ' OG ' ' B' ' 3' ' ' SER . 16.8 pttp . . . . . 0 C--O 1.234 0.263 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 7.4 pm0 -77.5 57.69 1.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 122.111 0.958 . . . . 0.0 111.495 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.584 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.8 OUTLIER -71.61 113.7 8.92 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.922 -1.035 . . . . 0.0 112.042 -179.236 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.7 m -107.27 148.87 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 6.4 mmt85 -84.15 92.94 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.943 0.402 . . . . 0.0 111.324 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.0 mt -112.54 101.69 9.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.908 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 m -85.24 112.23 20.56 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.52 -101.36 0.07 OUTLIER Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.353 -0.84 . . . . 0.0 114.721 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -50.47 -40.86 52.03 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 122.95 0.5 . . . . 0.0 112.103 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.93 -43.21 98.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.057 0.456 . . . . 0.0 110.565 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.485 ' O ' HG23 ' B' ' 15' ' ' VAL . 28.4 t80 -69.58 -49.84 50.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.052 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -54.3 -44.61 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 13' ' ' ARG . 25.9 ttm105 -60.87 -42.01 97.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.031 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.4 m -70.66 -36.23 73.26 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.655 ' HA ' HD21 ' A' ' 17' ' ' LEU . 75.6 t -62.37 -56.3 18.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 15.5 pt -61.2 -31.2 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.283 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -67.58 -54.77 17.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.698 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.69 HD12 HD22 ' A' ' 17' ' ' LEU . 71.3 mt -65.62 -44.13 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.059 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 17.2 m -58.17 -42.08 85.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.053 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.24 66.02 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.066 -0.254 . . . . 0.0 110.832 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 26.6 m -58.54 -39.57 80.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.314 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -73.45 -15.12 61.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.252 0.548 . . . . 0.0 110.405 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -89.37 -37.78 14.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.218 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 37.6 m95 -81.47 -45.84 15.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.667 -0.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.98 0.419 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.45 158.71 20.13 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -50.72 70.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.755 0.312 . . . . 0.0 111.412 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 5.4 mt-30 -70.75 -36.68 73.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.371 0.605 . . . . 0.0 110.308 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.0 m -66.3 -47.24 74.24 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.468 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 14.2 tp -67.54 -11.01 57.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.103 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 17.9 m -64.4 -23.41 67.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.964 0.411 . . . . 0.0 110.571 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 m -101.37 -22.29 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.511 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -82.94 -51.24 7.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.928 0.394 . . . . 0.0 110.79 179.396 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.484 ' HB3' ' HG ' ' A' ' 6' ' ' LEU . 19.6 t70 -111.15 -53.49 2.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.732 0.777 . . . . 0.0 109.504 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.584 ' O ' ' HB3' ' B' ' 3' ' ' SER . . . 118.72 136.59 5.44 Favored Glycine 0 N--CA 1.438 -1.171 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.078 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.85 139.93 30.28 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 m -104.35 170.99 7.58 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.051 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ttt -67.34 -30.35 70.15 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -57.14 14.31 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.287 179.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -42.25 99.55 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.146 0.498 . . . . 0.0 110.21 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.69 HD22 HD12 ' B' ' 18' ' ' ILE . 4.8 tt -60.41 -44.93 95.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.415 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.8 m -62.39 -34.67 77.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.675 0.274 . . . . 0.0 110.515 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.63 -26.51 67.1 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.246 0.546 . . . . 0.0 110.093 179.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 tp -82.59 -25.01 33.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.684 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.3 m -85.55 63.96 8.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.754 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.349 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.412 ' HZ2' ' CG ' ' A' ' 10' ' ' ASP . 12.9 tmtt? . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.611 0.243 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -146.98 153.77 40.46 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.5 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 44.4 m -154.4 -165.24 2.03 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.7 m -79.97 118.62 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.305 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.586 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 95.4 mtt-85 -94.01 91.25 6.78 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.418 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.2 mt -106.71 110.31 22.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.823 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -98.34 115.61 28.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.976 -178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.8 -102.6 0.08 OUTLIER Glycine 0 C--N 1.333 0.398 0 CA-C-N 115.62 -0.718 . . . . 0.0 114.287 178.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.08 -42.49 65.92 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 122.536 0.334 . . . . 0.0 111.488 -178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -63.28 -38.08 89.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.09 0.472 . . . . 0.0 110.339 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.43 ' O ' HG23 ' B' ' 15' ' ' VAL . 73.7 t80 -69.9 -54.51 13.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.162 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 64.5 mt -54.38 -45.71 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.287 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 25.8 ttm105 -60.86 -42.14 97.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.512 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.2 m -71.97 -37.93 69.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.965 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 11' ' ' TYR . 61.6 t -61.32 -54.41 35.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.572 0.225 . . . . 0.0 110.673 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 19.3 pt -60.93 -31.94 51.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.746 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -66.56 -49.5 66.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.046 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.49 -46.66 95.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.4 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.53 -41.88 86.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.769 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.97 -47.22 66.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.787 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 19.7 m -57.04 -35.28 69.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.762 0.315 . . . . 0.0 111.302 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m -70.91 -19.36 62.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.306 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.96 -18.93 21.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.505 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -86.62 -50.16 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.324 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.414 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 121.068 0.461 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.02 154.43 28.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.306 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 46.3 tp -58.15 -52.92 63.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.264 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.42 ' H ' ' HG3' ' A' ' 4' ' ' GLN . 7.1 mt-30 -64.08 -39.23 93.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.409 0.624 . . . . 0.0 109.611 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -62.03 -56.67 16.68 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.192 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 6' ' ' LEU . 9.7 mt -64.87 -19.67 66.01 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.363 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.586 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 1.7 m -64.26 -18.3 64.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 109.934 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.9 t -106.1 -43.29 4.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.525 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -66.47 -45.61 79.14 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.243 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.412 ' CG ' ' HZ2' ' B' ' 1' ' ' LYS . 25.3 t70 -111.41 -43.25 3.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 111.611 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.56 122.79 5.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.729 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.5 ' O ' ' HB3' ' B' ' 3' ' ' SER . 1.7 p -100.68 178.84 4.59 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.861 0.362 . . . . 0.0 111.34 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.4 p -113.13 168.31 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.625 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.8 ttm -60.12 -35.26 74.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 110.697 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.14 -52.3 65.85 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.29 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.84 -42.13 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.416 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.45 -39.75 94.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.511 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -67.88 -19.98 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.068 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.23 -23.55 66.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.059 0.457 . . . . 0.0 110.331 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.0 -9.73 44.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.423 0.63 . . . . 0.0 109.633 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m -89.6 63.28 6.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.644 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.372 -0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.499 ' CD ' HH21 ' B' ' 5' ' ' ARG . 12.6 tp10 -61.84 143.23 56.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.103 0.478 . . . . 0.0 111.289 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -162.62 -168.25 1.77 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.785 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.414 HG23 ' H ' ' B' ' 4' ' ' VAL . 0.7 OUTLIER -71.79 149.84 9.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.246 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.499 HH21 ' CD ' ' B' ' 2' ' ' GLU . 16.5 mmt180 -113.13 91.06 3.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.933 0.397 . . . . 0.0 110.84 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.51 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 1.1 mm? -109.51 116.49 31.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.631 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 96.3 m -96.84 113.72 25.29 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.39 -100.42 0.05 OUTLIER Glycine 0 C--N 1.336 0.553 0 CA-C-N 115.651 -0.704 . . . . 0.0 114.293 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.574 ' O ' ' HG3' ' B' ' 13' ' ' ARG . 89.1 mt -49.87 -47.21 52.02 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 122.485 0.314 . . . . 0.0 111.266 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.43 ' CD ' HH21 ' B' ' 13' ' ' ARG . 4.7 mm-40 -62.27 -38.61 89.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.649 ' CD1' ' HG3' ' A' ' 4' ' ' GLN . 44.8 t80 -65.01 -49.78 68.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.429 ' O ' HG12 ' B' ' 16' ' ' ILE . 55.0 mt -57.24 -48.46 82.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.213 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' B' ' 9' ' ' LEU . 39.4 mtm105 -59.86 -43.14 94.85 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.494 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.4 m -67.63 -39.97 84.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.898 0.38 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.49 HG22 ' HB3' ' A' ' 17' ' ' LEU . 48.3 t -65.89 -55.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.405 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.429 HG12 ' O ' ' B' ' 12' ' ' ILE . 30.9 pt -57.55 -31.29 38.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.424 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -63.29 -48.49 77.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 110.122 179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 72.3 mt -67.17 -50.25 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 m -62.08 -18.52 60.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.423 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -95.57 -53.15 3.84 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.054 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.8 m -54.52 -36.04 63.82 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -74.62 -5.03 40.69 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 9.1 ptp180 -115.62 -11.36 11.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.769 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -99.87 -40.45 7.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.349 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.462 -0.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 121.23 0.538 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.87 158.35 18.13 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.588 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.9 tp -58.42 -45.87 87.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.743 0.306 . . . . 0.0 111.438 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.649 ' HG3' ' CD1' ' B' ' 11' ' ' TYR . 2.1 mp0 -74.73 -42.62 57.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.401 0.62 . . . . 0.0 109.715 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.3 m -61.12 -50.73 72.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.534 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 19.1 tp -63.26 -17.41 62.46 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.558 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 43.8 t -67.51 -21.43 65.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.283 0.563 . . . . 0.0 109.605 178.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.1 m -95.32 -34.14 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -73.36 -58.28 3.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.656 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -101.31 -44.85 5.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.21 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 7' ' ' CYS . . . 121.69 148.75 7.91 Favored Glycine 0 N--CA 1.444 -0.774 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.413 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.2 p -125.18 140.02 53.24 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 117.096 0.448 . . . . 0.0 110.048 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.667 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 88.9 p -109.99 177.5 4.69 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.364 -0.38 . . . . 0.0 109.975 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.4 ttt -58.33 -31.49 67.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.249 0.547 . . . . 0.0 110.262 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -52.76 64.18 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.485 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -43.64 96.94 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.997 0.427 . . . . 0.0 110.888 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 13' ' ' SER . 2.9 mt -63.12 -50.96 68.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.139 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 m -66.17 -24.65 66.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.451 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.44 -31.76 71.3 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.727 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -83.01 -11.49 58.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.374 0.607 . . . . 0.0 109.642 179.571 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -115.46 33.34 5.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.704 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.335 -0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.488 ' HE2' ' OG ' ' A' ' 13' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.995 0.426 . . . . 0.0 110.156 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -55.81 125.97 23.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.287 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.563 ' HB2' ' O ' ' A' ' 12' ' ' CYS . 1.4 p -168.53 -170.94 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.574 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 m -83.95 139.85 17.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.097 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -105.65 108.71 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.928 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.584 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 1.9 mm? -119.66 146.69 45.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 20.0 m -112.48 114.27 26.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.09 -98.09 0.01 OUTLIER Glycine 0 C--N 1.337 0.627 0 O-C-N 124.035 0.834 . . . . 0.0 114.506 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.8 mt -51.32 -41.42 60.51 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.662 0.385 . . . . 0.0 111.708 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -35.17 74.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.838 0.351 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -66.84 -48.5 68.7 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.425 ' O ' HG12 ' B' ' 16' ' ' ILE . 76.7 mt -60.93 -40.59 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.777 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' B' ' 9' ' ' LEU . 2.8 tpp180 -56.94 -48.23 78.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.685 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.7 m -68.95 -37.8 79.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.03 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.84 -54.48 33.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.072 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 12' ' ' ILE . 28.2 pt -61.52 -28.9 44.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.552 0.215 . . . . 0.0 110.963 -179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.83 -52.36 30.75 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.01 -44.79 98.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.348 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 72.3 m -65.57 -6.58 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.713 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 23' ' ' ARG . . . -109.67 -54.74 2.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.498 0.19 . . . . 0.0 110.932 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 18.0 m -56.36 -36.42 68.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 25.3 m -77.9 0.26 24.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.646 0.26 . . . . 0.0 111.61 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' B' ' 20' ' ' ALA . 4.1 ptp180 -112.67 -17.95 12.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.421 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -88.68 72.44 8.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.011 0.434 . . . . 0.0 110.408 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.346 -0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.071 0 CA-C-O 121.024 0.44 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.58 152.93 40.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.091 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 6.0 mt -55.08 -47.89 74.27 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.175 0.297 . . . . 0.0 111.728 -178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -71.21 -41.36 70.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.0 109.75 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.0 m -59.07 -52.19 66.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.645 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 7.5 mt -78.35 -8.36 58.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.29 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.584 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -69.85 -27.62 64.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.955 0.407 . . . . 0.0 110.002 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.7 m -90.54 -1.86 57.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.159 0.504 . . . . 0.0 110.167 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.482 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.97 -72.32 0.71 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.638 -179.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -82.51 -55.24 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.882 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.37 172.56 13.47 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.848 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.563 ' O ' ' HB2' ' B' ' 3' ' ' SER . 57.7 m -129.22 138.29 51.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.759 0.314 . . . . 0.0 110.365 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.488 ' OG ' ' HE2' ' B' ' 1' ' ' LYS . 0.6 OUTLIER -99.74 169.27 9.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.717 0.294 . . . . 0.0 111.051 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 16.2 tpt -53.8 -49.91 67.29 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.223 0.535 . . . . 0.0 111.035 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.93 -48.48 73.07 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.72 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -42.46 84.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.504 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mp -71.61 -37.97 70.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.723 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 m -65.65 -19.63 65.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.12 -22.47 65.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.086 0.469 . . . . 0.0 110.37 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.99 -4.06 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.711 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.2 m -92.1 58.62 3.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.682 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -53.48 120.76 6.52 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.57 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.481 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 20.1 m -158.94 -173.88 4.47 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.248 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 m -83.58 135.94 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.406 -0.517 . . . . 0.0 109.803 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.528 ' HA ' ' O ' ' A' ' 7' ' ' CYS . 5.3 mpt_? -102.01 110.4 22.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.978 0.418 . . . . 0.0 111.174 -179.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.469 ' HB3' ' N ' ' B' ' 11' ' ' TYR . 2.1 mm? -124.13 128.94 50.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.088 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.5 m -108.66 119.46 39.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.58 -108.18 0.65 Allowed Glycine 0 C--N 1.335 0.485 0 CA-C-N 115.558 -0.746 . . . . 0.0 114.363 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 18.3 tp -54.28 -39.11 66.59 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 122.475 0.31 . . . . 0.0 111.352 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -63.94 -39.82 95.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.148 0.499 . . . . 0.0 109.985 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . 0.469 ' N ' ' HB3' ' B' ' 6' ' ' LEU . 46.8 t80 -69.66 -53.06 20.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.943 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -51.96 -45.35 40.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.887 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' B' ' 13' ' ' ARG . 27.9 ttm105 -61.44 -42.61 99.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.295 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 16.4 m -69.21 -37.58 78.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.781 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.453 HG23 ' O ' ' B' ' 11' ' ' TYR . 72.1 t -63.02 -58.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.71 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 21.4 pt -57.38 -30.9 36.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.437 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -63.82 -47.46 80.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.842 0.353 . . . . 0.0 110.194 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.7 -49.76 78.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.655 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.1 m -59.82 -40.72 89.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.474 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.07 -45.8 72.81 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.886 179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 23.9 m -59.7 -37.71 79.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.726 0.298 . . . . 0.0 111.08 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 9.7 m -74.1 -13.38 60.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.345 0.593 . . . . 0.0 110.43 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -91.76 -37.51 12.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.158 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -81.7 -45.24 15.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.601 -0.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.064 0.459 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.62 158.55 20.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.405 ' CD2' HD13 ' A' ' 20' ' ' LEU . 68.6 tp -58.05 -55.3 36.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.566 0.222 . . . . 0.0 110.943 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -37.33 87.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.286 0.565 . . . . 0.0 110.204 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 78.5 m -65.42 -52.17 55.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.639 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HA ' ' OG1' ' A' ' 9' ' ' THR . 9.5 tp -68.37 -21.37 64.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.741 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.528 ' O ' ' HA ' ' B' ' 5' ' ' ARG . 5.4 m -67.69 -17.03 64.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.92 0.391 . . . . 0.0 110.076 178.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.4 t -91.55 -25.33 19.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.882 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.451 ' OG1' ' HA ' ' A' ' 6' ' ' LEU . 5.4 p -96.35 -74.88 0.55 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.17 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -75.24 -44.69 44.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.362 0.601 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.78 175.67 24.75 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.836 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' B' ' 3' ' ' SER . 0.6 OUTLIER -142.05 158.63 43.54 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.43 174.07 6.15 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 18.5 ttt -56.04 -35.61 67.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.354 0.597 . . . . 0.0 110.793 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -49.13 78.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.548 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -48.66 78.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.041 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.83 -42.34 97.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.991 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.3 m -68.79 -26.37 65.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.613 0.244 . . . . 0.0 110.364 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.74 65.21 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 HD13 ' CD2' ' A' ' 3' ' ' LEU . 14.6 tp -72.83 -23.04 60.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.823 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.4 m -111.04 36.25 3.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.321 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_