data_2lmf_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 2lmf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 5' ' ' PHE . 10.8 tp . . . . . 0 CA--C 1.517 -0.318 0 CA-C-O 121.326 0.584 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.26 -34.67 0.04 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.54 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 67.1 m-20 -71.23 -40.65 70.95 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.698 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -54.06 -50.04 67.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.21 179.366 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.528 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.0 m-85 -62.77 -41.94 99.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.897 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.543 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.4 -39.09 56.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -71.28 -44.89 64.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 110.334 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -50.32 23.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' PHE . 3.2 mmmp? -51.37 -35.59 39.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.04 -41.29 71.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -68.83 -46.49 68.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.933 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.7 mp -68.14 -44.8 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.04 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' A' ' 18' ' ' LYS . . . -49.7 -47.42 37.96 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -69.85 -42.01 74.13 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.241 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.544 ' O ' HG21 ' A' ' 20' ' ' ILE . 19.3 mt-10 -70.31 -51.85 27.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.485 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.546 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -64.8 -20.16 66.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.711 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -73.79 -31.14 63.13 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.549 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -93.53 -16.53 24.35 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.544 HG21 ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -86.7 -46.89 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.23 179.69 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.537 ' N ' ' CG1' ' A' ' 20' ' ' ILE . 4.0 p . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.101 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.1 tp . . . . . 0 CA--C 1.517 -0.315 0 CA-C-O 121.231 0.538 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.18 -34.72 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 2' ' ' LEU . 8.3 p-10 -68.47 -42.25 78.97 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -55.08 -48.36 73.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.887 179.09 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.0 m-85 -59.47 -46.06 89.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.671 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.627 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.72 -45.21 63.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -69.13 -40.77 78.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.167 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -73.97 -51.57 15.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.758 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' PHE . 39.8 mttm -50.98 -32.63 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -72.99 -47.64 43.48 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -58.31 -54.57 45.52 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.1 mp -61.25 -33.28 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.19 -49.77 36.23 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -65.29 -55.55 17.72 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 61.7 mm-40 -59.79 -42.58 93.67 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.1 t80 -54.5 -45.05 73.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.642 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -63.35 -35.2 79.6 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.368 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' NH2' ' OE2' ' A' ' 16' ' ' GLU . 26.4 mtm180 -80.93 -49.41 11.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.217 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 21' ' ' VAL . 3.8 tt -60.08 -35.01 58.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.77 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.412 ' N ' HG23 ' A' ' 20' ' ' ILE . 97.4 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.5 tt . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 121.43 0.634 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.38 -35.17 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 2' ' ' LEU . 10.8 t70 -63.61 -40.33 96.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -56.16 -50.18 71.88 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.209 178.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.697 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.3 m-85 -52.6 -48.7 66.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.561 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.652 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.9 mtt-85 -50.94 -40.75 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -72.36 -38.46 68.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.064 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -73.49 -50.91 19.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.495 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.31 -41.71 51.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -71.35 -38.56 71.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 16' ' ' GLU . 13.6 tmtt? -66.69 -48.03 70.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.876 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.661 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -66.59 -40.17 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.73 -49.11 35.24 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.76 -57.11 7.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 78.0 mt-10 -56.21 -46.07 79.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.661 ' N ' ' O ' ' A' ' 13' ' ' ILE . 63.5 t80 -52.93 -53.84 43.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.486 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -52.79 -30.37 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.669 HH11 ' CG ' ' A' ' 19' ' ' ARG . 4.1 mtt-85 -89.75 -27.86 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.357 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.4 tt -77.84 -35.38 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.726 -179.674 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.8 tt . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 121.431 0.634 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.35 -35.03 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 2' ' ' LEU . 14.2 m-20 -62.98 -41.41 99.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.716 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -55.44 -48.37 74.56 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.524 178.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.716 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -51.19 -49.44 60.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.64 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -51.25 -50.98 58.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.136 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -67.78 -37.22 81.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.473 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.53 ' OG ' ' CE2' ' A' ' 5' ' ' PHE . 3.0 m -73.27 -50.79 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -51.81 -36.22 47.14 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.206 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -67.42 -53.42 29.27 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.23 -48.12 79.63 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.671 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -64.57 -33.47 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.76 -46.07 39.47 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.146 -1.181 . . . . 0.0 110.146 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.64 -56.32 9.85 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.75 -45.8 85.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.671 ' N ' ' O ' ' A' ' 13' ' ' ILE . 68.7 t80 -47.54 -42.13 22.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.189 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.18 -53.16 32.99 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -54.46 -26.35 30.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -91.86 -31.82 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.153 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 17' ' ' PHE . 78.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.273 0.558 . . . . 0.0 110.404 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.721 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.7 tt . . . . . 0 CA--C 1.518 -0.259 0 CA-C-O 121.384 0.612 . . . . 0.0 110.719 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.37 -35.19 0.07 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 2' ' ' LEU . 21.3 t70 -61.74 -40.13 94.0 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.721 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -58.04 -48.33 80.41 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.156 178.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.704 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -51.29 -45.69 62.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.279 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -54.11 -51.24 64.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -70.84 -32.49 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.211 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 5.9 t -74.07 -52.54 12.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.634 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -52.02 -37.59 53.93 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -64.01 -41.89 97.33 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -62.74 -44.3 96.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.158 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.15 -44.63 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.424 ' O ' ' HD2' ' A' ' 18' ' ' LYS . . . -49.65 -46.19 38.48 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -74.68 -36.14 62.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.682 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.23 -40.61 58.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -76.08 -34.47 59.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.644 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -73.39 -28.05 61.8 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.434 -179.228 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -79.79 -36.13 37.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.053 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 tt -74.93 -38.97 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.315 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 6.0 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 121.001 0.429 . . . . 0.0 110.963 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 5' ' ' PHE . 6.5 tp . . . . . 0 CA--C 1.518 -0.25 0 CA-C-O 121.158 0.504 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.02 -34.53 0.03 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 2' ' ' LEU . 16.3 p-10 -68.33 -41.06 81.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.192 0.52 . . . . 0.0 109.611 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.696 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -56.39 -51.75 67.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.103 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 3.6 m-85 -56.04 -43.71 78.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.746 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.615 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.26 -43.39 61.53 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -72.49 -37.25 68.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.127 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -73.24 -51.35 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -51.75 -41.62 61.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.145 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.3 -47.24 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.382 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -64.83 -49.59 70.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.661 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -61.13 -46.29 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-O 120.855 0.36 . . . . 0.0 110.181 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.21 -45.99 34.63 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -74.36 -39.26 62.87 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 59.9 mt-10 -74.97 -43.6 53.12 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -69.61 -22.43 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.455 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -73.02 -39.58 65.87 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.311 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.626 HH11 ' HG2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -83.49 -24.73 31.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.045 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -82.65 -36.27 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 0.0 110.423 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 17' ' ' PHE . 4.5 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.664 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.704 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.1 tt . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 121.413 0.625 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.21 -35.18 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' LEU . 18.0 t0 -62.73 -41.68 99.3 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -55.4 -50.39 69.86 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.314 178.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.698 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -53.06 -47.0 68.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.575 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -50.87 -40.42 56.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -72.58 -40.06 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.177 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 8.5 t -72.1 -51.41 21.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.476 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -50.19 -41.82 50.14 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.59 -39.4 94.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -59.5 -42.34 91.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.112 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.691 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.0 mp -63.06 -43.79 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.85 -44.01 39.63 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -74.08 -54.06 8.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -60.43 -40.62 91.76 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.691 ' N ' ' O ' ' A' ' 13' ' ' ILE . 69.1 t80 -58.23 -46.95 84.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.609 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -61.53 -30.45 70.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.589 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -84.14 -49.43 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.031 0.444 . . . . 0.0 110.233 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 21' ' ' VAL . 3.8 tt -63.79 -34.03 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.961 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' A' ' 17' ' ' PHE . 1.6 p . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.526 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.7 tt . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 121.551 0.691 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.31 -35.28 0.07 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' LEU . 31.3 t70 -61.65 -40.7 95.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -57.17 -50.87 71.47 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.259 178.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.704 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.9 m-85 -51.92 -47.42 64.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.313 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.667 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.7 OUTLIER -51.06 -41.85 60.16 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.139 -179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -67.83 -45.75 73.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.245 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -73.12 -50.99 19.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.441 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' PHE . 23.7 mmtt -50.16 -31.16 12.92 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -74.65 -38.76 62.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -64.47 -40.9 96.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.164 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.676 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.2 mp -68.49 -43.34 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.08 -46.06 42.34 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -52.14 14.69 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.0 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -60.64 -42.16 96.37 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' ILE . 65.8 t80 -57.0 -50.94 71.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.619 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -53.89 -29.43 41.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.664 HH11 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -90.28 -29.8 17.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.901 0.381 . . . . 0.0 110.075 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.5 tt -75.38 -36.45 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.493 -179.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.713 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.6 tp . . . . . 0 CA--C 1.517 -0.304 0 CA-C-O 121.335 0.588 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.27 -34.67 0.04 OUTLIER Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 2' ' ' LEU . 22.8 t0 -69.53 -39.41 77.51 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.713 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.64 -51.97 66.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.202 179.309 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.656 ' O ' ' N ' ' A' ' 10' ' ' LYS . 5.4 m-85 -57.44 -43.77 84.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.667 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.621 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -51.16 -42.9 61.11 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -69.39 -44.26 71.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.865 0.364 . . . . 0.0 110.192 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -73.26 -50.81 20.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.507 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 6' ' ' PHE . 12.4 mttm -51.42 -31.91 24.63 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 17.6 mt-10 -66.85 -53.06 36.3 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -55.43 -45.48 76.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.708 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.621 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -67.67 -33.47 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.35 -43.44 43.63 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -71.13 -57.38 4.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.95 -40.01 79.48 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 13' ' ' ILE . 73.2 t80 -59.42 -48.38 81.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.882 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -51.98 -37.15 52.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -80.96 -29.53 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.298 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.41 -36.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.678 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 7.7 p . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.836 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.683 ' O ' ' N ' ' A' ' 5' ' ' PHE . 7.0 tp . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 121.374 0.606 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.08 -34.57 0.04 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.6 t70 -68.94 -41.78 77.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.683 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -53.93 -50.57 66.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.209 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.2 m-85 -56.82 -47.62 79.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.862 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -50.86 -41.85 58.38 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.974 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -71.0 -40.14 72.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.125 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -73.48 -51.49 16.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.693 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 6' ' ' PHE . 10.6 mttp -51.22 -36.17 40.33 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -73.26 -48.08 37.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' OE1' ' A' ' 16' ' ' GLU . 11.9 tptp -57.16 -50.4 72.95 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.86 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -59.65 -33.0 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.17 -46.79 62.15 Favored Glycine 0 C--N 1.328 0.136 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -62.44 -57.57 10.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.353 -0.423 . . . . 0.0 110.494 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.533 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 19.4 mp0 -62.58 -46.19 89.45 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.663 ' N ' ' O ' ' A' ' 13' ' ' ILE . 72.4 t80 -50.85 -33.69 24.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.669 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -72.62 -55.84 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.645 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.72 HH11 ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -68.9 -43.99 74.12 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.065 -179.096 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 4.9 tt -58.81 -42.76 86.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.599 0.238 . . . . 0.0 110.902 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.531 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 92.3 t . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 121.064 0.459 . . . . 0.0 110.176 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.3 tt . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 121.429 0.633 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.18 -35.21 0.06 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.2 m-20 -63.11 -42.16 99.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.714 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -54.23 -50.08 67.99 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.412 178.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.714 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.6 m-85 -51.6 -50.85 59.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.551 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.443 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -51.29 -39.91 57.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.09 -179.485 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.3 mtpm? -71.72 -43.38 65.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.121 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 m -73.06 -51.03 19.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.493 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.8 mtpt -51.08 -36.09 38.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 23.6 mt-10 -66.74 -43.95 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.18 -44.37 95.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.932 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.687 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.7 mp -66.28 -38.56 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.86 -50.36 32.5 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -62.47 -57.19 12.11 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 19' ' ' ARG . 46.4 mt-10 -56.84 -51.2 69.94 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.687 ' N ' ' O ' ' A' ' 13' ' ' ILE . 77.9 t80 -46.53 -48.75 19.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.135 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -63.5 -20.84 65.93 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.982 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -96.16 -31.55 12.92 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.962 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.523 ' CG1' ' N ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -78.54 -47.72 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.636 -179.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.523 ' N ' ' CG1' ' A' ' 20' ' ' ILE . 7.4 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.683 ' O ' ' N ' ' A' ' 5' ' ' PHE . 10.6 tp . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 121.3 0.571 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.37 -34.86 0.04 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -178.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' LEU . 57.7 m-20 -72.26 -41.23 66.99 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.683 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -53.7 -48.74 69.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.739 179.084 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.546 ' CE1' ' NZ ' ' A' ' 10' ' ' LYS . 2.0 m-85 -65.67 -43.12 90.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.541 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -50.46 -31.03 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -75.27 -48.22 24.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.676 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 m -70.12 -51.58 30.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.322 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.546 ' NZ ' ' CE1' ' A' ' 6' ' ' PHE . 7.6 mptt -51.66 -39.7 58.65 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -54.8 -52.53 62.39 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 48.2 tttp -54.08 -45.12 71.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.837 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.637 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.1 mp -67.94 -37.27 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -50.21 -47.37 42.32 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -65.0 -57.34 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -59.32 -44.69 92.56 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.25 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.637 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.2 t80 -56.49 -47.19 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.287 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -51.24 -56.62 11.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.933 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.658 HH11 ' CG ' ' A' ' 19' ' ' ARG . 2.5 mtt-85 -62.36 -17.32 58.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.436 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -21.65 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.562 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 7.6 p . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.324 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.717 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.8 tp . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 121.227 0.537 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.2 -34.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -178.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 2' ' ' LEU . 22.0 t70 -69.23 -39.54 78.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.717 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.9 -46.26 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.931 179.132 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 m-85 -60.57 -42.65 97.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.731 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -51.73 -49.37 62.67 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.73 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -69.87 -36.64 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.503 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.509 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -74.73 -51.2 14.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.882 0.372 . . . . 0.0 110.766 179.626 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.1 mmmt -51.78 -35.95 45.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -53.08 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -59.29 -47.88 83.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.94 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -65.87 -37.21 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.721 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.17 -50.04 29.29 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -74.4 -33.11 62.93 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.453 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.534 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 3.9 tt0 -76.09 -44.05 40.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 0.0 111.008 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.33 -23.38 61.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.301 -178.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.67 -45.17 60.24 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.506 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -72.78 -49.72 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 21' ' ' VAL . 4.5 tt -54.15 -39.99 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.519 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.409 ' N ' HG21 ' A' ' 20' ' ' ILE . 97.6 t . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 120.898 0.38 . . . . 0.0 110.122 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.725 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.7 tp . . . . . 0 CA--C 1.518 -0.283 0 CA-C-O 121.3 0.571 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.6 -35.08 0.05 OUTLIER Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.4 m-20 -69.84 -36.11 75.3 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -59.84 -51.06 71.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.182 179.366 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.595 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.3 m-85 -55.87 -49.13 74.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.034 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -50.95 -45.25 60.64 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.051 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.587 ' NZ ' ' HZ3' ' A' ' 12' ' ' LYS . 32.9 tttp -71.29 -37.8 71.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.212 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -73.44 -51.18 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.686 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' GLY . 18.7 mttt -51.41 -39.26 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.06 -50.94 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HZ3' ' NZ ' ' A' ' 8' ' ' LYS . 30.4 mttp -62.56 -47.81 82.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.254 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.693 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -68.01 -37.58 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -49.72 -48.28 36.68 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.07 -57.29 5.63 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.865 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' ILE . 95.9 mt-10 -56.61 -43.62 80.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.837 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.693 ' N ' ' O ' ' A' ' 13' ' ' ILE . 84.2 t80 -51.27 -41.27 60.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -66.27 -41.62 89.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.797 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -87.97 -49.36 7.12 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.137 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.1 tt -54.95 -36.4 38.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.181 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.589 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.673 ' O ' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 121.432 0.634 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.26 -35.13 0.06 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 2' ' ' LEU . 9.2 t70 -59.28 -42.66 91.77 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.72 -49.91 74.97 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.261 178.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.683 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.2 m-85 -54.93 -47.37 74.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.614 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -50.86 -40.48 56.36 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.211 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -69.93 -44.6 69.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.982 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.436 ' H ' ' HG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -69.21 -50.13 50.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.624 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 14' ' ' GLY . 2.9 mptp? -50.73 -38.81 49.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.18 -53.38 58.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.76 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -58.99 -46.01 89.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.911 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.6 mp -66.99 -34.61 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -50.04 -48.09 39.44 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -56.03 12.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 80.2 mt-10 -59.69 -42.72 93.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.648 ' N ' ' O ' ' A' ' 13' ' ' ILE . 53.0 t80 -55.97 -46.38 78.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.583 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -53.02 -47.33 68.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.169 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.602 HH11 ' HG3' ' A' ' 19' ' ' ARG . 2.1 ptm180 -76.09 -24.05 54.99 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.815 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -31.32 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 13.6 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.648 ' O ' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 121.565 0.698 . . . . 0.0 111.26 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.85 -35.11 0.05 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -60.15 -44.97 94.56 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.417 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -53.63 -50.88 64.77 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.046 178.759 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.6 m-85 -55.7 -42.72 75.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.166 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -51.14 -38.76 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -71.83 -43.06 66.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.984 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 m -70.64 -50.6 35.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -40.53 56.16 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.33 -53.34 59.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.858 179.318 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -54.1 -47.87 71.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.632 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -62.12 -31.19 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.01 -44.98 83.2 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.592 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -71.85 -41.63 67.88 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.658 -179.519 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.592 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 74.8 mt-10 -71.58 -50.33 32.04 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.632 ' N ' ' O ' ' A' ' 13' ' ' ILE . 53.3 t80 -45.99 -47.51 16.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.258 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -19.49 64.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -92.1 -21.44 20.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.27 179.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -96.87 -45.23 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-O 120.994 0.426 . . . . 0.0 110.439 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.496 ' N ' ' CG1' ' A' ' 20' ' ' ILE . 3.0 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.758 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.8 tp . . . . . 0 C--O 1.224 -0.246 0 CA-C-O 121.261 0.553 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.53 -35.01 0.05 OUTLIER Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 2' ' ' LEU . 17.1 m-20 -70.53 -34.27 72.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.018 0.437 . . . . 0.0 109.866 178.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.741 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -61.88 -49.63 75.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.345 179.496 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.3 m-85 -58.06 -52.92 63.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.377 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.414 ' O ' ' OE2' ' A' ' 11' ' ' GLU . 5.2 ptt180 -51.54 -40.43 59.65 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.983 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 17.2 tttp -74.06 -39.96 63.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.909 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -73.55 -51.61 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' PHE . 50.0 mttt -51.06 -39.72 56.64 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 7' ' ' ARG . 29.2 mt-10 -67.3 -43.87 80.62 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -55.51 -44.72 76.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.733 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.589 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.5 mp -58.44 -51.98 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.72 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.39 -33.85 8.54 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -68.21 -57.64 5.69 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.607 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.544 ' CG ' ' N ' ' A' ' 17' ' ' PHE . 9.9 pt-20 -67.14 -50.66 60.49 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.242 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.589 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.73 -30.97 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.106 179.357 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -72.84 -31.78 65.01 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.164 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.662 ' CG ' HH11 ' A' ' 19' ' ' ARG . 2.0 mtt-85 -88.97 -24.23 22.46 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.935 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.521 ' CG1' ' N ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -82.54 -47.53 18.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.707 -179.459 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.521 ' N ' ' CG1' ' A' ' 20' ' ' ILE . 4.5 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.681 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.6 tp . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 121.233 0.539 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.06 -34.71 0.04 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 9.2 p-10 -69.25 -41.23 77.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.073 0.463 . . . . 0.0 109.775 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.681 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -54.62 -50.89 67.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.201 179.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.574 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.6 m-85 -57.67 -48.11 80.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.961 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.665 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.1 mtt-85 -50.83 -38.94 51.91 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.912 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -70.9 -44.9 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.011 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -72.31 -51.59 20.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 6' ' ' PHE . 34.5 mtmt -51.05 -32.95 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.02 -43.42 78.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -61.38 -41.08 96.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.837 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.684 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.0 mp -67.81 -37.6 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.31 -51.76 30.26 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -63.12 -57.09 11.73 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.61 -43.83 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.978 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.684 ' N ' ' O ' ' A' ' 13' ' ' ILE . 72.0 t80 -57.53 -34.17 68.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -72.24 -59.12 2.89 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.278 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 20' ' ' ILE . 20.1 ptt180 -58.52 -49.35 77.69 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.616 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.525 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 5.1 tt -58.65 -42.05 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.297 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.43 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 43.3 t . . . . . 0 N--CA 1.464 0.254 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 5' ' ' PHE . 8.0 tp . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.203 0.525 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -33.98 -34.86 0.04 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' LEU . 49.7 t0 -68.62 -41.9 78.86 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.696 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -53.93 -49.58 68.36 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.902 179.16 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.655 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.7 m-85 -57.14 -44.39 83.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.792 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.413 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -51.0 -46.26 61.42 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.94 -179.54 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 12.7 tmtt? -72.48 -38.61 68.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.172 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -73.0 -50.36 23.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.607 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.655 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.0 mtmp? -51.52 -38.64 55.08 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.47 -53.54 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 27.7 mmtm -55.89 -48.74 75.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.742 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -61.78 -32.65 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.82 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . -50.64 -55.53 16.95 Favored Glycine 0 C--O 1.227 -0.33 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' N ' ' CE ' ' A' ' 15' ' ' LYS . 4.1 mmpt? -53.72 -54.16 41.94 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.18 -0.51 . . . . 0.0 110.625 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.547 ' O ' HG21 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -63.37 -51.86 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.939 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -67.05 -20.32 65.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.206 -179.487 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 14' ' ' GLY . 27.9 tptt -73.35 -27.56 61.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.025 178.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.653 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -95.04 -17.03 22.24 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.244 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.547 HG21 ' O ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -90.16 -44.59 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.77 178.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.501 ' N ' ' CG1' ' A' ' 20' ' ' ILE . 3.0 p . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.732 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.0 tp . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 121.332 0.587 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.07 -34.91 0.04 OUTLIER Glycine 0 CA--C 1.526 0.779 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.161 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 2' ' ' LEU . 8.7 p-10 -68.92 -41.28 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.68 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -54.74 -48.86 72.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.935 179.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 m-85 -62.11 -39.75 93.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.02 -46.6 61.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.6 mtpm? -69.15 -42.78 75.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.197 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -70.27 -50.59 37.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 6' ' ' PHE . 13.9 mtmt -50.88 -36.72 39.47 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -61.95 -53.4 56.2 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -53.79 -45.9 70.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.718 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.664 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -64.2 -35.34 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.13 -44.41 42.59 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -67.83 -57.21 6.67 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.14 -43.43 95.7 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.664 ' N ' ' O ' ' A' ' 13' ' ' ILE . 60.8 t80 -52.79 -40.64 63.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.686 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -58.6 -46.5 86.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.131 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.626 HH11 ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -75.67 -25.81 57.1 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.461 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.41 -35.84 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.448 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 8.7 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.594 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 5' ' ' PHE . 10.8 tp -48.04 -46.04 32.86 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.326 0.584 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.26 -34.67 0.04 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.54 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 67.1 m-20 -71.23 -40.65 70.95 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.698 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -54.06 -50.04 67.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.21 179.366 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.528 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.0 m-85 -62.77 -41.94 99.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.897 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.543 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.4 -39.09 56.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -71.28 -44.89 64.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 110.334 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -50.32 23.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 6' ' ' PHE . 3.2 mmmp? -51.37 -35.59 39.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.04 -41.29 71.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -68.83 -46.49 68.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.933 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.7 mp -68.14 -44.8 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.04 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' A' ' 18' ' ' LYS . . . -49.7 -47.42 37.96 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -69.85 -42.01 74.13 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.241 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.544 ' O ' HG21 ' A' ' 20' ' ' ILE . 19.3 mt-10 -70.31 -51.85 27.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.485 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -64.8 -20.16 66.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.711 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -73.79 -31.14 63.13 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.549 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -93.53 -16.53 24.35 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.544 HG21 ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -86.7 -46.89 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.23 179.69 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.537 ' N ' ' CG1' ' A' ' 20' ' ' ILE . 4.0 p -93.9 44.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.101 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.82 77.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.407 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.648 ' CG ' HH11 ' A' ' 23' ' ' ARG . 3.4 mtt-85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.452 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.456 ' CD1' ' H1 ' ' A' ' 1' ' ' LEU . 11.2 mp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.1 tp -106.06 -48.16 3.67 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.231 0.538 . . . . 0.0 111.063 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.18 -34.72 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 2' ' ' LEU . 8.3 p-10 -68.47 -42.25 78.97 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -55.08 -48.36 73.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.887 179.09 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.0 m-85 -59.47 -46.06 89.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.671 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.627 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.72 -45.21 63.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -69.13 -40.77 78.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.167 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -73.97 -51.57 15.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.758 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' PHE . 39.8 mttm -50.98 -32.63 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -72.99 -47.64 43.48 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -58.31 -54.57 45.52 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.1 mp -61.25 -33.28 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.19 -49.77 36.23 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -65.29 -55.55 17.72 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 61.7 mm-40 -59.79 -42.58 93.67 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.714 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.1 t80 -54.5 -45.05 73.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.642 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -63.35 -35.2 79.6 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.368 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' NH2' ' OE2' ' A' ' 16' ' ' GLU . 26.4 mtm180 -80.93 -49.41 11.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.217 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 21' ' ' VAL . 3.8 tt -60.08 -35.01 58.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.77 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.412 ' N ' HG23 ' A' ' 20' ' ' ILE . 97.4 t -93.76 99.14 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -70.82 56.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.487 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.555 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.5 tt -85.69 -56.8 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.43 0.634 . . . . 0.0 110.837 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.38 -35.17 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 2' ' ' LEU . 10.8 t70 -63.61 -40.33 96.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -56.16 -50.18 71.88 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.209 178.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.697 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.3 m-85 -52.6 -48.7 66.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.561 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.652 ' CG ' HH11 ' A' ' 7' ' ' ARG . 1.9 mtt-85 -50.94 -40.75 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -72.36 -38.46 68.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.064 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -73.49 -50.91 19.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.495 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.31 -41.71 51.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -71.35 -38.56 71.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 16' ' ' GLU . 13.6 tmtt? -66.69 -48.03 70.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.876 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.661 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -66.59 -40.17 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.73 -49.11 35.24 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.76 -57.11 7.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 78.0 mt-10 -56.21 -46.07 79.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.661 ' N ' ' O ' ' A' ' 13' ' ' ILE . 63.5 t80 -52.93 -53.84 43.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.486 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -52.79 -30.37 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.669 ' CG ' HH11 ' A' ' 19' ' ' ARG . 4.1 mtt-85 -89.75 -27.86 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.357 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.4 tt -77.84 -35.38 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' CG2' ' NH1' ' A' ' 23' ' ' ARG . 7.2 p -114.98 70.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.726 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -89.49 79.49 6.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.614 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.661 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.563 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.508 ' N ' ' CD1' ' A' ' 1' ' ' LEU . 7.5 mp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.8 tt -63.61 -56.73 13.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 111.066 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.35 -35.03 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 2' ' ' LEU . 14.2 m-20 -62.98 -41.41 99.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.716 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -55.44 -48.37 74.56 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.524 178.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.716 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -51.19 -49.44 60.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.64 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -51.25 -50.98 58.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.136 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -67.78 -37.22 81.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.473 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.53 ' OG ' ' CE2' ' A' ' 5' ' ' PHE . 3.0 m -73.27 -50.79 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -51.81 -36.22 47.14 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.206 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -67.42 -53.42 29.27 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.23 -48.12 79.63 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.671 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -64.57 -33.47 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.76 -46.07 39.47 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.146 -1.181 . . . . 0.0 110.146 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.64 -56.32 9.85 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.75 -45.8 85.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.671 ' N ' ' O ' ' A' ' 13' ' ' ILE . 68.7 t80 -47.54 -42.13 22.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.189 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -67.18 -53.16 32.99 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -54.46 -26.35 30.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -91.86 -31.82 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.153 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 17' ' ' PHE . 78.2 t -101.65 18.38 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.273 0.558 . . . . 0.0 110.404 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 18' ' ' LYS . 24.8 mm-40 -110.63 21.02 17.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.213 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.42 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.721 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.7 tt -84.93 -56.66 3.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.384 0.612 . . . . 0.0 110.719 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.37 -35.19 0.07 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 2' ' ' LEU . 21.3 t70 -61.74 -40.13 94.0 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.721 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -58.04 -48.33 80.41 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.156 178.622 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.704 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -51.29 -45.69 62.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.279 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -54.11 -51.24 64.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -70.84 -32.49 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.211 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 5.9 t -74.07 -52.54 12.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.634 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -52.02 -37.59 53.93 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -64.01 -41.89 97.33 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -62.74 -44.3 96.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.158 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.15 -44.63 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.424 ' O ' ' HD2' ' A' ' 18' ' ' LYS . . . -49.65 -46.19 38.48 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -74.68 -36.14 62.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.682 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.23 -40.61 58.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -76.08 -34.47 59.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.756 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.644 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -73.39 -28.05 61.8 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.434 -179.228 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.456 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 2.3 ptm180 -79.79 -36.13 37.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.053 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 tt -74.93 -38.97 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.315 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 6.0 p -98.23 53.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.001 0.429 . . . . 0.0 110.963 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.567 ' O ' ' C ' ' A' ' 23' ' ' ARG . 46.1 mt-30 -73.2 85.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.567 ' C ' ' O ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.805 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 5' ' ' PHE . 6.5 tp -117.16 -48.28 2.64 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.158 0.504 . . . . 0.0 111.538 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.02 -34.53 0.03 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 2' ' ' LEU . 16.3 p-10 -68.33 -41.06 81.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.192 0.52 . . . . 0.0 109.611 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.696 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -56.39 -51.75 67.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.103 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 3.6 m-85 -56.04 -43.71 78.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.746 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.615 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.26 -43.39 61.53 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -72.49 -37.25 68.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.127 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -73.24 -51.35 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -51.75 -41.62 61.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.145 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.3 -47.24 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.382 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -64.83 -49.59 70.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.661 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -61.13 -46.29 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-O 120.855 0.36 . . . . 0.0 110.181 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.21 -45.99 34.63 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -74.36 -39.26 62.87 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 59.9 mt-10 -74.97 -43.6 53.12 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -69.61 -22.43 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.455 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -73.02 -39.58 65.87 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.311 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.626 HH11 ' HG2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -83.49 -24.73 31.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.045 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -82.65 -36.27 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 0.0 110.423 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.557 ' O ' ' N ' ' A' ' 23' ' ' ARG . 4.5 p -84.2 37.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.664 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -43.75 88.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' A' ' 21' ' ' VAL . 19.4 mmm180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.669 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.704 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.1 tt -79.41 -56.45 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.413 0.625 . . . . 0.0 110.767 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.21 -35.18 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' LEU . 18.0 t0 -62.73 -41.68 99.3 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -55.4 -50.39 69.86 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.314 178.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.698 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -53.06 -47.0 68.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.575 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -50.87 -40.42 56.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -72.58 -40.06 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.177 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 8.5 t -72.1 -51.41 21.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.476 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -50.19 -41.82 50.14 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.59 -39.4 94.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -59.5 -42.34 91.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.112 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.691 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.0 mp -63.06 -43.79 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.85 -44.01 39.63 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -74.08 -54.06 8.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -60.43 -40.62 91.76 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.691 ' N ' ' O ' ' A' ' 13' ' ' ILE . 69.1 t80 -58.23 -46.95 84.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.609 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -61.53 -30.45 70.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.589 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -84.14 -49.43 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.031 0.444 . . . . 0.0 110.233 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 21' ' ' VAL . 3.8 tt -63.79 -34.03 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.961 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.666 ' O ' ' N ' ' A' ' 23' ' ' ARG . 1.6 p -92.5 14.58 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.526 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.468 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 2.9 pt20 21.68 35.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.886 -1.052 . . . . 0.0 113.067 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.666 ' N ' ' O ' ' A' ' 21' ' ' VAL . 10.7 ptm180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.507 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' A' ' 1' ' ' LEU . 8.3 mp . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.7 tt -70.23 -56.51 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.31 -35.28 0.07 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' LEU . 31.3 t70 -61.65 -40.7 95.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -57.17 -50.87 71.47 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.259 178.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.704 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.9 m-85 -51.92 -47.42 64.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.313 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.667 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.7 OUTLIER -51.06 -41.85 60.16 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.139 -179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -67.83 -45.75 73.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.245 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -73.12 -50.99 19.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.441 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' PHE . 23.7 mmtt -50.16 -31.16 12.92 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -74.65 -38.76 62.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -64.47 -40.9 96.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.164 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.676 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.2 mp -68.49 -43.34 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.08 -46.06 42.34 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -52.14 14.69 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.0 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -60.64 -42.16 96.37 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' ILE . 65.8 t80 -57.0 -50.94 71.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.619 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -53.89 -29.43 41.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.664 HH11 ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -90.28 -29.8 17.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.901 0.381 . . . . 0.0 110.075 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.5 tt -75.38 -36.45 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.83 69.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.493 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -89.33 84.67 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.664 ' CG ' HH11 ' A' ' 23' ' ' ARG . 3.5 mtt-85 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.472 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.713 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.6 tp -58.42 -46.67 86.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.335 0.588 . . . . 0.0 111.033 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.27 -34.67 0.04 OUTLIER Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 2' ' ' LEU . 22.8 t0 -69.53 -39.41 77.51 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.713 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.64 -51.97 66.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.202 179.309 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.656 ' O ' ' N ' ' A' ' 10' ' ' LYS . 5.4 m-85 -57.44 -43.77 84.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.667 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.621 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -51.16 -42.9 61.11 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -69.39 -44.26 71.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.865 0.364 . . . . 0.0 110.192 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -73.26 -50.81 20.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.507 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 6' ' ' PHE . 12.4 mttm -51.42 -31.91 24.63 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 17.6 mt-10 -66.85 -53.06 36.3 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -55.43 -45.48 76.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.708 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.621 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -67.67 -33.47 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.35 -43.44 43.63 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -71.13 -57.38 4.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.95 -40.01 79.48 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 13' ' ' ILE . 73.2 t80 -59.42 -48.38 81.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.882 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -51.98 -37.15 52.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -80.96 -29.53 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.298 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.41 -36.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.678 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 7.7 p -88.37 52.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.836 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.99 64.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.497 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 21' ' ' VAL . 47.2 mtp180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.624 ' CD1' ' N ' ' A' ' 1' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.233 0.54 . . . . 0.0 109.866 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.683 ' O ' ' N ' ' A' ' 5' ' ' PHE . 7.0 tp -119.28 -46.95 2.48 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.078 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.08 -34.57 0.04 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.6 t70 -68.94 -41.78 77.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.683 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -53.93 -50.57 66.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.209 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.2 m-85 -56.82 -47.62 79.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.862 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -50.86 -41.85 58.38 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.974 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -71.0 -40.14 72.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.125 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -73.48 -51.49 16.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.693 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 6' ' ' PHE . 10.6 mttp -51.22 -36.17 40.33 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -73.26 -48.08 37.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' OE1' ' A' ' 16' ' ' GLU . 11.9 tptp -57.16 -50.4 72.95 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.86 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -59.65 -33.0 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.17 -46.79 62.15 Favored Glycine 0 C--N 1.328 0.136 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -62.44 -57.57 10.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.353 -0.423 . . . . 0.0 110.494 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.533 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 19.4 mp0 -62.58 -46.19 89.45 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.663 ' N ' ' O ' ' A' ' 13' ' ' ILE . 72.4 t80 -50.85 -33.69 24.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.669 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -72.62 -55.84 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.645 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.72 HH11 ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -68.9 -43.99 74.12 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.065 -179.096 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 4.9 tt -58.81 -42.76 86.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.599 0.238 . . . . 0.0 110.902 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.531 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 92.3 t -85.76 30.37 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 121.064 0.459 . . . . 0.0 110.176 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' A' ' 21' ' ' VAL . 8.6 mt-30 28.68 60.16 0.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.282 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.507 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.612 ' H1 ' ' CD2' ' A' ' 1' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.3 tt -84.33 -56.77 3.46 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.429 0.633 . . . . 0.0 111.014 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.18 -35.21 0.06 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.2 m-20 -63.11 -42.16 99.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.714 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -54.23 -50.08 67.99 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.412 178.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.714 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.6 m-85 -51.6 -50.85 59.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.551 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.443 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -51.29 -39.91 57.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.09 -179.485 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.3 mtpm? -71.72 -43.38 65.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.121 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 m -73.06 -51.03 19.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.493 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.8 mtpt -51.08 -36.09 38.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 23.6 mt-10 -66.74 -43.95 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.18 -44.37 95.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.932 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.687 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.7 mp -66.28 -38.56 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.86 -50.36 32.5 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -62.47 -57.19 12.11 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 19' ' ' ARG . 46.4 mt-10 -56.84 -51.2 69.94 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.687 ' N ' ' O ' ' A' ' 13' ' ' ILE . 77.9 t80 -46.53 -48.75 19.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.135 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -63.5 -20.84 65.93 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.982 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -96.16 -31.55 12.92 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.962 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.523 ' CG1' ' N ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -78.54 -47.72 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.636 -179.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.523 ' N ' ' CG1' ' A' ' 20' ' ' ILE . 7.4 p -105.03 55.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -63.15 88.54 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.52 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' A' ' 1' ' ' LEU . 10.5 mp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.683 ' O ' ' N ' ' A' ' 5' ' ' PHE . 10.6 tp -62.26 -46.27 89.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.3 0.571 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.37 -34.86 0.04 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -178.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' LEU . 57.7 m-20 -72.26 -41.23 66.99 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.683 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -53.7 -48.74 69.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.739 179.084 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.546 ' CE1' ' NZ ' ' A' ' 10' ' ' LYS . 2.0 m-85 -65.67 -43.12 90.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.541 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -50.46 -31.03 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -75.27 -48.22 24.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.676 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 m -70.12 -51.58 30.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.322 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.546 ' NZ ' ' CE1' ' A' ' 6' ' ' PHE . 7.6 mptt -51.66 -39.7 58.65 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -54.8 -52.53 62.39 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 48.2 tttp -54.08 -45.12 71.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.837 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.637 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.1 mp -67.94 -37.27 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -50.21 -47.37 42.32 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -65.0 -57.34 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -59.32 -44.69 92.56 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.25 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.637 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.2 t80 -56.49 -47.19 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.287 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 22' ' ' GLN . 8.6 tptt -51.24 -56.62 11.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.933 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.658 ' CG ' HH11 ' A' ' 19' ' ' ARG . 2.5 mtt-85 -62.36 -17.32 58.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.436 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -21.65 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.562 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 21' ' ' VAL . 7.6 p -132.63 28.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.324 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' O ' ' C ' ' A' ' 23' ' ' ARG . 1.1 pp0? -156.96 15.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.155 0.503 . . . . 0.0 110.724 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.515 ' C ' ' O ' ' A' ' 22' ' ' GLN . 13.7 ptt180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.355 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 1' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.717 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.8 tp -58.55 -47.12 85.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.227 0.537 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.2 -34.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -178.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 2' ' ' LEU . 22.0 t70 -69.23 -39.54 78.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.717 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.9 -46.26 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.931 179.132 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 m-85 -60.57 -42.65 97.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.731 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -51.73 -49.37 62.67 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.73 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -69.87 -36.64 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.503 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.509 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -74.73 -51.2 14.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.882 0.372 . . . . 0.0 110.766 179.626 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.1 mmmt -51.78 -35.95 45.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -53.08 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -59.29 -47.88 83.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.94 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.516 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -65.87 -37.21 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.721 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.17 -50.04 29.29 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -74.4 -33.11 62.93 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.453 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.534 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 3.9 tt0 -76.09 -44.05 40.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 0.0 111.008 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.33 -23.38 61.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.301 -178.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.67 -45.17 60.24 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.506 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -72.78 -49.72 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.676 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 21' ' ' VAL . 4.5 tt -54.15 -39.99 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.519 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.409 ' N ' HG21 ' A' ' 20' ' ' ILE . 97.6 t -91.84 84.21 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.898 0.38 . . . . 0.0 110.122 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.442 ' O ' ' OXT' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -82.08 82.93 7.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.333 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' OXT' ' O ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.831 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.725 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.7 tp -64.85 -46.99 79.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.3 0.571 . . . . 0.0 110.972 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.6 -35.08 0.05 OUTLIER Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.4 m-20 -69.84 -36.11 75.3 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -59.84 -51.06 71.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.182 179.366 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.595 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.3 m-85 -55.87 -49.13 74.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.034 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -50.95 -45.25 60.64 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.051 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.587 ' NZ ' ' HZ3' ' A' ' 12' ' ' LYS . 32.9 tttp -71.29 -37.8 71.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.212 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -73.44 -51.18 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.686 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' GLY . 18.7 mttt -51.41 -39.26 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.06 -50.94 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HZ3' ' NZ ' ' A' ' 8' ' ' LYS . 30.4 mttp -62.56 -47.81 82.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.254 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.693 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -68.01 -37.58 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -49.72 -48.28 36.68 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.07 -57.29 5.63 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.865 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' ILE . 95.9 mt-10 -56.61 -43.62 80.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.837 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.693 ' N ' ' O ' ' A' ' 13' ' ' ILE . 84.2 t80 -51.27 -41.27 60.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -66.27 -41.62 89.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.797 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -87.97 -49.36 7.12 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.137 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.1 tt -54.95 -36.4 38.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.181 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.584 ' O ' ' C ' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -89.28 22.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.589 -179.64 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.584 ' C ' ' O ' ' A' ' 21' ' ' VAL . 1.6 pt20 -5.52 73.9 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.817 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' VAL . 9.1 ptm180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.606 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 1' ' ' LEU . 9.0 mp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.673 ' O ' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -51.68 -56.16 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.432 0.634 . . . . 0.0 110.886 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.26 -35.13 0.06 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 2' ' ' LEU . 9.2 t70 -59.28 -42.66 91.77 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.72 -49.91 74.97 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.261 178.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.683 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.2 m-85 -54.93 -47.37 74.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.614 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -50.86 -40.48 56.36 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.211 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -69.93 -44.6 69.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.982 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.436 ' H ' ' HG ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -69.21 -50.13 50.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.624 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 14' ' ' GLY . 2.9 mptp? -50.73 -38.81 49.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.18 -53.38 58.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.76 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -58.99 -46.01 89.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.911 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.6 mp -66.99 -34.61 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -50.04 -48.09 39.44 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -56.03 12.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 80.2 mt-10 -59.69 -42.72 93.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.648 ' N ' ' O ' ' A' ' 13' ' ' ILE . 53.0 t80 -55.97 -46.38 78.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.583 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -53.02 -47.33 68.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.169 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.602 HH11 ' HG3' ' A' ' 19' ' ' ARG . 2.1 ptm180 -76.09 -24.05 54.99 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.815 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -31.32 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 13.6 p -116.66 65.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.87 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 23' ' ' ARG . 33.9 mt-30 -76.04 80.05 2.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.695 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' GLN . 37.1 mtp180 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.587 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.477 ' O ' ' OD2' ' A' ' 4' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.648 ' O ' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -38.59 -53.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.565 0.698 . . . . 0.0 111.26 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.85 -35.11 0.05 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -60.15 -44.97 94.56 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.417 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -53.63 -50.88 64.77 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.046 178.759 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.6 m-85 -55.7 -42.72 75.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.166 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -51.14 -38.76 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -71.83 -43.06 66.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.984 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 m -70.64 -50.6 35.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -40.53 56.16 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.33 -53.34 59.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.858 179.318 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -54.1 -47.87 71.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.632 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -62.12 -31.19 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.01 -44.98 83.2 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.592 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -71.85 -41.63 67.88 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.658 -179.519 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.592 ' N ' ' HG2' ' A' ' 15' ' ' LYS . 74.8 mt-10 -71.58 -50.33 32.04 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.632 ' N ' ' O ' ' A' ' 13' ' ' ILE . 53.3 t80 -45.99 -47.51 16.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.258 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -19.49 64.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -92.1 -21.44 20.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.27 179.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -96.87 -45.23 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-O 120.994 0.426 . . . . 0.0 110.439 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.553 ' O ' ' N ' ' A' ' 23' ' ' ARG . 3.0 p -82.09 35.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.758 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -43.04 89.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' A' ' 21' ' ' VAL . 3.2 ppt_? . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.455 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 1' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.8 tp -77.15 -47.6 19.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.261 0.553 . . . . 0.0 111.278 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.53 -35.01 0.05 OUTLIER Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 2' ' ' LEU . 17.1 m-20 -70.53 -34.27 72.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.018 0.437 . . . . 0.0 109.866 178.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.741 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -61.88 -49.63 75.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.345 179.496 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.3 m-85 -58.06 -52.92 63.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.377 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.414 ' O ' ' OE2' ' A' ' 11' ' ' GLU . 5.2 ptt180 -51.54 -40.43 59.65 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.983 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 17.2 tttp -74.06 -39.96 63.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.909 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -73.55 -51.61 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' PHE . 50.0 mttt -51.06 -39.72 56.64 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 7' ' ' ARG . 29.2 mt-10 -67.3 -43.87 80.62 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -55.51 -44.72 76.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.733 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.589 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.5 mp -58.44 -51.98 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.72 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.39 -33.85 8.54 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -68.21 -57.64 5.69 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.607 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.544 ' CG ' ' N ' ' A' ' 17' ' ' PHE . 9.9 pt-20 -67.14 -50.66 60.49 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.242 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.589 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -47.73 -30.97 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.106 179.357 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -72.84 -31.78 65.01 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.164 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.662 ' CG ' HH11 ' A' ' 19' ' ' ARG . 2.0 mtt-85 -88.97 -24.23 22.46 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.935 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.521 ' CG1' ' N ' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -82.54 -47.53 18.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.707 -179.459 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.521 ' N ' ' CG1' ' A' ' 20' ' ' ILE . 4.5 p -87.12 51.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 5.4 mt-30 -63.28 69.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 21' ' ' VAL . 34.7 mtt180 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.436 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.473 ' O ' ' OD1' ' A' ' 4' ' ' ASP . 10.3 mp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.681 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.6 tp -38.82 -46.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.233 0.539 . . . . 0.0 111.471 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.06 -34.71 0.04 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 9.2 p-10 -69.25 -41.23 77.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.073 0.463 . . . . 0.0 109.775 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.681 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -54.62 -50.89 67.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.201 179.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.574 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.6 m-85 -57.67 -48.11 80.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.961 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.665 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.1 mtt-85 -50.83 -38.94 51.91 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.912 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -70.9 -44.9 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.011 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -72.31 -51.59 20.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 6' ' ' PHE . 34.5 mtmt -51.05 -32.95 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.02 -43.42 78.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -61.38 -41.08 96.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.837 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.684 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.0 mp -67.81 -37.6 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.31 -51.76 30.26 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -63.12 -57.09 11.73 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.61 -43.83 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.978 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.684 ' N ' ' O ' ' A' ' 13' ' ' ILE . 72.0 t80 -57.53 -34.17 68.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -72.24 -59.12 2.89 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.278 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 20' ' ' ILE . 20.1 ptt180 -58.52 -49.35 77.69 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.616 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.525 ' N ' ' CG ' ' A' ' 19' ' ' ARG . 5.1 tt -58.65 -42.05 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.297 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.632 ' O ' ' N ' ' A' ' 23' ' ' ARG . 43.3 t -99.81 70.4 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.473 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.5 pt20 -39.08 83.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.632 ' N ' ' O ' ' A' ' 21' ' ' VAL . 50.8 mtp180 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.886 -1.054 . . . . 0.0 111.299 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 41.1 mt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 5' ' ' PHE . 8.0 tp -62.11 -47.91 82.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 111.257 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -33.98 -34.86 0.04 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' LEU . 49.7 t0 -68.62 -41.9 78.86 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.696 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -53.93 -49.58 68.36 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.902 179.16 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.655 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.7 m-85 -57.14 -44.39 83.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.792 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -51.0 -46.26 61.42 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.94 -179.54 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 12.7 tmtt? -72.48 -38.61 68.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.172 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -73.0 -50.36 23.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.607 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.655 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.0 mtmp? -51.52 -38.64 55.08 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.47 -53.54 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 27.7 mmtm -55.89 -48.74 75.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.742 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -61.78 -32.65 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.82 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . -50.64 -55.53 16.95 Favored Glycine 0 C--O 1.227 -0.33 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' N ' ' CE ' ' A' ' 15' ' ' LYS . 4.1 mmpt? -53.72 -54.16 41.94 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.18 -0.51 . . . . 0.0 110.625 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.547 ' O ' HG21 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -63.37 -51.86 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.939 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -67.05 -20.32 65.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.206 -179.487 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 14' ' ' GLY . 27.9 tptt -73.35 -27.56 61.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.025 178.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.653 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -95.04 -17.03 22.24 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.244 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.547 HG21 ' O ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -90.16 -44.59 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.77 178.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' A' ' 23' ' ' ARG . 3.0 p -80.91 28.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.732 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 20' ' ' ILE . 24.9 mm-40 -49.16 87.51 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.734 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.648 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.499 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.443 ' O ' ' OD1' ' A' ' 4' ' ' ASP . 14.6 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.0 tp -101.08 -46.11 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.332 0.587 . . . . 0.0 111.186 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.07 -34.91 0.04 OUTLIER Glycine 0 CA--C 1.526 0.779 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.161 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 2' ' ' LEU . 8.7 p-10 -68.92 -41.28 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.68 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -54.74 -48.86 72.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.935 179.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 m-85 -62.11 -39.75 93.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.02 -46.6 61.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' CB ' ' NZ ' ' A' ' 8' ' ' LYS . 9.6 mtpm? -69.15 -42.78 75.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.197 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -70.27 -50.59 37.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 6' ' ' PHE . 13.9 mtmt -50.88 -36.72 39.47 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -61.95 -53.4 56.2 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -53.79 -45.9 70.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.718 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.664 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -64.2 -35.34 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.13 -44.41 42.59 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -67.83 -57.21 6.67 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.14 -43.43 95.7 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.664 ' N ' ' O ' ' A' ' 13' ' ' ILE . 60.8 t80 -52.79 -40.64 63.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.686 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -58.6 -46.5 86.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.131 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.626 ' HG3' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -75.67 -25.81 57.1 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.461 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.41 -35.84 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.448 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 23' ' ' ARG . 8.7 p -96.65 54.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.594 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 6.8 mt-30 -68.23 43.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.632 HH11 ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.624 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 5' ' ' PHE . 10.8 tp . . . . . 0 CA--C 1.517 -0.318 0 CA-C-O 121.326 0.584 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.26 -34.67 0.04 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.54 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 67.1 m-20 -71.23 -40.65 70.95 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.698 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -54.06 -50.04 67.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.21 179.366 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.0 m-85 -62.77 -41.94 99.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.897 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.552 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.4 -39.09 56.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -71.28 -44.89 64.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 110.334 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -50.32 23.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' PHE . 3.2 mmmp? -51.37 -35.59 39.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.04 -41.29 71.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -68.83 -46.49 68.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.933 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.7 mp -68.14 -44.8 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.04 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' A' ' 18' ' ' LYS . . . -49.7 -47.42 37.96 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -69.85 -42.01 74.13 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.241 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.961 ' O ' HG23 ' A' ' 20' ' ' ILE . 19.3 mt-10 -70.31 -51.85 27.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.485 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.772 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -64.8 -20.16 66.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.711 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -73.79 -31.14 63.13 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.549 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -93.53 -16.53 24.35 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -86.7 -46.89 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.23 179.69 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 17' ' ' PHE . 4.0 p . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.101 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.1 tp . . . . . 0 CA--C 1.517 -0.315 0 CA-C-O 121.231 0.538 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.18 -34.72 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 2' ' ' LEU . 8.3 p-10 -68.47 -42.25 78.97 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -55.08 -48.36 73.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.887 179.09 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.0 m-85 -59.47 -46.06 89.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.671 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.647 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.72 -45.21 63.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -69.13 -40.77 78.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.167 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -73.97 -51.57 15.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.758 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' PHE . 39.8 mttm -50.98 -32.63 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -72.99 -47.64 43.48 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -58.31 -54.57 45.52 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.679 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.1 mp -61.25 -33.28 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.19 -49.77 36.23 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -65.29 -55.55 17.72 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 61.7 mm-40 -59.79 -42.58 93.67 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.679 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.1 t80 -54.5 -45.05 73.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.642 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -63.35 -35.2 79.6 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.368 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' NH2' ' OE2' ' A' ' 16' ' ' GLU . 26.4 mtm180 -80.93 -49.41 11.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.217 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.401 HG22 ' HA ' ' A' ' 17' ' ' PHE . 3.8 tt -60.08 -35.01 58.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.77 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.546 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 97.4 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.5 tt . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 121.43 0.634 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.38 -35.17 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 2' ' ' LEU . 10.8 t70 -63.61 -40.33 96.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -56.16 -50.18 71.88 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.209 178.772 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.697 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.3 m-85 -52.6 -48.7 66.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.561 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.665 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.9 mtt-85 -50.94 -40.75 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -72.36 -38.46 68.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.064 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -73.49 -50.91 19.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.495 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.31 -41.71 51.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -71.35 -38.56 71.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 16' ' ' GLU . 13.6 tmtt? -66.69 -48.03 70.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.876 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.661 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -66.59 -40.17 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.73 -49.11 35.24 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.76 -57.11 7.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 78.0 mt-10 -56.21 -46.07 79.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.83 ' O ' HG12 ' A' ' 21' ' ' VAL . 63.5 t80 -52.93 -53.84 43.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.486 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -52.79 -30.37 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.683 ' CG ' HH11 ' A' ' 19' ' ' ARG . 4.1 mtt-85 -89.75 -27.86 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.357 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.4 tt -77.84 -35.38 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.83 HG12 ' O ' ' A' ' 17' ' ' PHE . 7.2 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.726 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.8 tt . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 121.431 0.634 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.35 -35.03 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 2' ' ' LEU . 14.2 m-20 -62.98 -41.41 99.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.716 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -55.44 -48.37 74.56 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.524 178.764 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.716 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -51.19 -49.44 60.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.64 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -51.25 -50.98 58.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.136 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -67.78 -37.22 81.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.473 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.499 ' OG ' ' CD2' ' A' ' 5' ' ' PHE . 3.0 m -73.27 -50.79 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -51.81 -36.22 47.14 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.206 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -67.42 -53.42 29.27 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.23 -48.12 79.63 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -64.57 -33.47 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.76 -46.07 39.47 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.146 -1.181 . . . . 0.0 110.146 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.64 -56.32 9.85 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.75 -45.8 85.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.825 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 68.7 t80 -47.54 -42.13 22.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.189 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.18 -53.16 32.99 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -54.46 -26.35 30.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.631 HG22 HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -91.86 -31.82 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.153 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.825 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 78.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.273 0.558 . . . . 0.0 110.404 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.721 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.7 tt . . . . . 0 CA--C 1.518 -0.259 0 CA-C-O 121.384 0.612 . . . . 0.0 110.719 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.37 -35.19 0.07 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 2' ' ' LEU . 21.3 t70 -61.74 -40.13 94.0 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.721 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -58.04 -48.33 80.41 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.156 178.622 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.704 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -51.29 -45.69 62.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.279 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -54.11 -51.24 64.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -70.84 -32.49 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.211 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 5.9 t -74.07 -52.54 12.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.634 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -52.02 -37.59 53.93 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -64.01 -41.89 97.33 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -62.74 -44.3 96.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.158 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.15 -44.63 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' ' 18' ' ' LYS . . . -49.65 -46.19 38.48 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -74.68 -36.14 62.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.682 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.23 -40.61 58.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.896 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -76.08 -34.47 59.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.756 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.644 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -73.39 -28.05 61.8 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.434 -179.228 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -79.79 -36.13 37.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.053 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 tt -74.93 -38.97 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.315 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.896 HG12 ' O ' ' A' ' 17' ' ' PHE . 6.0 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 121.001 0.429 . . . . 0.0 110.963 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 5' ' ' PHE . 6.5 tp . . . . . 0 CA--C 1.518 -0.25 0 CA-C-O 121.158 0.504 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.02 -34.53 0.03 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 2' ' ' LEU . 16.3 p-10 -68.33 -41.06 81.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.192 0.52 . . . . 0.0 109.611 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.696 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -56.39 -51.75 67.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.103 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 3.6 m-85 -56.04 -43.71 78.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.746 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.63 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.26 -43.39 61.53 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -72.49 -37.25 68.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.127 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -73.24 -51.35 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -51.75 -41.62 61.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.145 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.3 -47.24 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.382 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -64.83 -49.59 70.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.661 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -61.13 -46.29 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-O 120.855 0.36 . . . . 0.0 110.181 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.21 -45.99 34.63 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -74.36 -39.26 62.87 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 59.9 mt-10 -74.97 -43.6 53.12 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.641 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -69.61 -22.43 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.455 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -73.02 -39.58 65.87 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.311 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.66 HH11 ' HG2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -83.49 -24.73 31.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.045 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -82.65 -36.27 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 0.0 110.423 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 17' ' ' PHE . 4.5 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.664 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.704 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.1 tt . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 121.413 0.625 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.21 -35.18 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' LEU . 18.0 t0 -62.73 -41.68 99.3 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -55.4 -50.39 69.86 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.314 178.692 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.698 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -53.06 -47.0 68.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -50.87 -40.42 56.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -72.58 -40.06 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.177 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 8.5 t -72.1 -51.41 21.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.476 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' PHE . 1.8 mptm? -50.19 -41.82 50.14 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.59 -39.4 94.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -59.5 -42.34 91.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.112 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.691 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.0 mp -63.06 -43.79 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.85 -44.01 39.63 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -74.08 -54.06 8.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -60.43 -40.62 91.76 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.691 ' N ' ' O ' ' A' ' 13' ' ' ILE . 69.1 t80 -58.23 -46.95 84.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.609 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -61.53 -30.45 70.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.589 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -84.14 -49.43 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.031 0.444 . . . . 0.0 110.233 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.407 HG22 ' HA ' ' A' ' 17' ' ' PHE . 3.8 tt -63.79 -34.03 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.961 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 17' ' ' PHE . 1.6 p . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.526 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.7 tt . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 121.551 0.691 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.31 -35.28 0.07 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' LEU . 31.3 t70 -61.65 -40.7 95.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -57.17 -50.87 71.47 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.259 178.735 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.704 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.9 m-85 -51.92 -47.42 64.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.313 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.678 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.7 OUTLIER -51.06 -41.85 60.16 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.139 -179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -67.83 -45.75 73.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.245 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -73.12 -50.99 19.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.441 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' PHE . 23.7 mmtt -50.16 -31.16 12.92 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -74.65 -38.76 62.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -64.47 -40.9 96.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.164 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.676 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.2 mp -68.49 -43.34 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.08 -46.06 42.34 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -52.14 14.69 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.0 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -60.64 -42.16 96.37 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.863 ' O ' HG12 ' A' ' 21' ' ' VAL . 65.8 t80 -57.0 -50.94 71.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.619 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -53.89 -29.43 41.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.676 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -90.28 -29.8 17.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.901 0.381 . . . . 0.0 110.075 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.5 tt -75.38 -36.45 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 17' ' ' PHE . 7.3 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.493 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.713 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.6 tp . . . . . 0 CA--C 1.517 -0.304 0 CA-C-O 121.335 0.588 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.27 -34.67 0.04 OUTLIER Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 2' ' ' LEU . 22.8 t0 -69.53 -39.41 77.51 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.713 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.64 -51.97 66.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.202 179.309 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.656 ' O ' ' N ' ' A' ' 10' ' ' LYS . 5.4 m-85 -57.44 -43.77 84.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.667 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.643 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -51.16 -42.9 61.11 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -69.39 -44.26 71.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.865 0.364 . . . . 0.0 110.192 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -73.26 -50.81 20.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.507 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 6' ' ' PHE . 12.4 mttm -51.42 -31.91 24.63 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 17.6 mt-10 -66.85 -53.06 36.3 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -55.43 -45.48 76.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.708 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.621 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -67.67 -33.47 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.35 -43.44 43.63 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -71.13 -57.38 4.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.95 -40.01 79.48 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 13' ' ' ILE . 73.2 t80 -59.42 -48.38 81.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.882 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -51.98 -37.15 52.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -80.96 -29.53 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.298 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.41 -36.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.678 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.7 p . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.836 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.683 ' O ' ' N ' ' A' ' 5' ' ' PHE . 7.0 tp . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 121.374 0.606 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.08 -34.57 0.04 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.6 t70 -68.94 -41.78 77.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.683 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -53.93 -50.57 66.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.209 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.2 m-85 -56.82 -47.62 79.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.862 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -50.86 -41.85 58.38 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.974 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -71.0 -40.14 72.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.125 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -73.48 -51.49 16.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.693 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' PHE . 10.6 mttp -51.22 -36.17 40.33 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -73.26 -48.08 37.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' OE1' ' A' ' 16' ' ' GLU . 11.9 tptp -57.16 -50.4 72.95 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.86 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -59.65 -33.0 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.17 -46.79 62.15 Favored Glycine 0 C--N 1.328 0.136 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -62.44 -57.57 10.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.353 -0.423 . . . . 0.0 110.494 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.533 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 19.4 mp0 -62.58 -46.19 89.45 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.663 ' N ' ' O ' ' A' ' 13' ' ' ILE . 72.4 t80 -50.85 -33.69 24.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.669 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -72.62 -55.84 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.645 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.744 HH11 ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -68.9 -43.99 74.12 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.065 -179.096 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 4.9 tt -58.81 -42.76 86.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.599 0.238 . . . . 0.0 110.902 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.813 ' O ' HG12 ' A' ' 21' ' ' VAL . 92.3 t . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 121.064 0.459 . . . . 0.0 110.176 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.3 tt . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 121.429 0.633 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.18 -35.21 0.06 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.2 m-20 -63.11 -42.16 99.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.714 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -54.23 -50.08 67.99 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.412 178.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.714 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.6 m-85 -51.6 -50.85 59.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.551 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.443 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -51.29 -39.91 57.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.09 -179.485 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.3 mtpm? -71.72 -43.38 65.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.121 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 m -73.06 -51.03 19.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.493 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.8 mtpt -51.08 -36.09 38.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 23.6 mt-10 -66.74 -43.95 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.18 -44.37 95.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.932 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.624 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.7 mp -66.28 -38.56 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.86 -50.36 32.5 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -62.47 -57.19 12.11 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 20' ' ' ILE . 46.4 mt-10 -56.84 -51.2 69.94 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.745 ' O ' HG12 ' A' ' 21' ' ' VAL . 77.9 t80 -46.53 -48.75 19.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.135 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -63.5 -20.84 65.93 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.982 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -96.16 -31.55 12.92 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.962 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -78.54 -47.72 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.636 -179.379 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 17' ' ' PHE . 7.4 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.683 ' O ' ' N ' ' A' ' 5' ' ' PHE . 10.6 tp . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 121.3 0.571 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.37 -34.86 0.04 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -178.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' LEU . 57.7 m-20 -72.26 -41.23 66.99 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.683 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -53.7 -48.74 69.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.739 179.084 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.546 ' CE1' ' NZ ' ' A' ' 10' ' ' LYS . 2.0 m-85 -65.67 -43.12 90.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.541 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -50.46 -31.03 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -75.27 -48.22 24.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.676 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 m -70.12 -51.58 30.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.322 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.546 ' NZ ' ' CE1' ' A' ' 6' ' ' PHE . 7.6 mptt -51.66 -39.7 58.65 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -54.8 -52.53 62.39 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 48.2 tttp -54.08 -45.12 71.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.837 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.1 mp -67.94 -37.27 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -50.21 -47.37 42.32 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -65.0 -57.34 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -59.32 -44.69 92.56 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.25 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.847 ' CE2' HG11 ' A' ' 21' ' ' VAL . 56.2 t80 -56.49 -47.19 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.287 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -51.24 -56.62 11.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.933 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.676 ' CG ' HH11 ' A' ' 19' ' ' ARG . 2.5 mtt-85 -62.36 -17.32 58.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.436 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -21.65 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.562 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.847 HG11 ' CE2' ' A' ' 17' ' ' PHE . 7.6 p . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.324 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.717 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.8 tp . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 121.227 0.537 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.2 -34.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -178.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 2' ' ' LEU . 22.0 t70 -69.23 -39.54 78.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.717 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.9 -46.26 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.931 179.132 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 m-85 -60.57 -42.65 97.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.731 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -51.73 -49.37 62.67 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.73 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -69.87 -36.64 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.503 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.507 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -74.73 -51.2 14.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.882 0.372 . . . . 0.0 110.766 179.626 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.1 mmmt -51.78 -35.95 45.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -53.08 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -59.29 -47.88 83.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.94 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.4 mp -65.87 -37.21 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.721 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.17 -50.04 29.29 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -74.4 -33.11 62.93 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.453 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.54 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 3.9 tt0 -76.09 -44.05 40.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 0.0 111.008 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.33 -23.38 61.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.301 -178.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.67 -45.17 60.24 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.506 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' HB3' ' HE ' ' A' ' 19' ' ' ARG . 17.0 mtp180 -72.78 -49.72 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.676 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 4.5 tt -54.15 -39.99 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.519 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 97.6 t . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 120.898 0.38 . . . . 0.0 110.122 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.725 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.7 tp . . . . . 0 CA--C 1.518 -0.283 0 CA-C-O 121.3 0.571 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.6 -35.08 0.05 OUTLIER Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.4 m-20 -69.84 -36.11 75.3 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -59.84 -51.06 71.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.182 179.366 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.595 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.3 m-85 -55.87 -49.13 74.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.034 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -50.95 -45.25 60.64 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.051 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -71.29 -37.8 71.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.212 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 5' ' ' PHE . 1.3 m -73.44 -51.18 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.686 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' GLY . 18.7 mttt -51.41 -39.26 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.06 -50.94 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -62.56 -47.81 82.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.254 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.68 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -68.01 -37.58 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -49.72 -48.28 36.68 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.07 -57.29 5.63 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.865 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' ILE . 95.9 mt-10 -56.61 -43.62 80.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.837 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.68 ' N ' ' O ' ' A' ' 13' ' ' ILE . 84.2 t80 -51.27 -41.27 60.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -66.27 -41.62 89.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.797 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 19' ' ' ARG . 6.4 ptp180 -87.97 -49.36 7.12 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.137 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.1 tt -54.95 -36.4 38.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.181 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.589 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.673 ' O ' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 121.432 0.634 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.26 -35.13 0.06 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 2' ' ' LEU . 9.2 t70 -59.28 -42.66 91.77 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.72 -49.91 74.97 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.261 178.66 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.683 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.2 m-85 -54.93 -47.37 74.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.614 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -50.86 -40.48 56.36 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.211 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -69.93 -44.6 69.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.982 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -50.13 50.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.624 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 14' ' ' GLY . 2.9 mptp? -50.73 -38.81 49.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.18 -53.38 58.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.76 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -58.99 -46.01 89.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.911 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.6 mp -66.99 -34.61 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -50.04 -48.09 39.44 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -56.03 12.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 80.2 mt-10 -59.69 -42.72 93.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.94 ' O ' HG12 ' A' ' 21' ' ' VAL . 53.0 t80 -55.97 -46.38 78.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.583 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -53.02 -47.33 68.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.169 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.615 HH11 ' HG3' ' A' ' 19' ' ' ARG . 2.1 ptm180 -76.09 -24.05 54.99 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.815 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -31.32 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.94 HG12 ' O ' ' A' ' 17' ' ' PHE . 13.6 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.648 ' O ' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 121.565 0.698 . . . . 0.0 111.26 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.85 -35.11 0.05 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -60.15 -44.97 94.56 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.417 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -53.63 -50.88 64.77 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.046 178.759 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.6 m-85 -55.7 -42.72 75.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.166 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -51.14 -38.76 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -71.83 -43.06 66.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.984 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 m -70.64 -50.6 35.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -40.53 56.16 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.33 -53.34 59.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.858 179.318 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -54.1 -47.87 71.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.632 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -62.12 -31.19 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.01 -44.98 83.2 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -71.85 -41.63 67.88 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.658 -179.519 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.935 ' O ' HG23 ' A' ' 20' ' ' ILE . 74.8 mt-10 -71.58 -50.33 32.04 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.698 ' O ' HG12 ' A' ' 21' ' ' VAL . 53.3 t80 -45.99 -47.51 16.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.258 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -19.49 64.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -92.1 -21.44 20.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.27 179.284 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -96.87 -45.23 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-O 120.994 0.426 . . . . 0.0 110.439 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 17' ' ' PHE . 3.0 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.758 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.8 tp . . . . . 0 C--O 1.224 -0.246 0 CA-C-O 121.261 0.553 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.53 -35.01 0.05 OUTLIER Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 2' ' ' LEU . 17.1 m-20 -70.53 -34.27 72.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.018 0.437 . . . . 0.0 109.866 178.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.741 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -61.88 -49.63 75.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.345 179.496 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.3 m-85 -58.06 -52.92 63.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.377 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 8' ' ' LYS . 5.2 ptt180 -51.54 -40.43 59.65 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.983 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 17.2 tttp -74.06 -39.96 63.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.909 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -73.55 -51.61 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' PHE . 50.0 mttt -51.06 -39.72 56.64 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 7' ' ' ARG . 29.2 mt-10 -67.3 -43.87 80.62 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -55.51 -44.72 76.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.733 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.5 mp -58.44 -51.98 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.72 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.39 -33.85 8.54 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -68.21 -57.64 5.69 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.607 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.884 ' O ' HG23 ' A' ' 20' ' ' ILE . 9.9 pt-20 -67.14 -50.66 60.49 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.242 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.829 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -47.73 -30.97 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.106 179.357 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -72.84 -31.78 65.01 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.164 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.675 ' CG ' HH11 ' A' ' 19' ' ' ARG . 2.0 mtt-85 -88.97 -24.23 22.46 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.935 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -82.54 -47.53 18.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.707 -179.459 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.829 HG12 ' O ' ' A' ' 17' ' ' PHE . 4.5 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.681 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.6 tp . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 121.233 0.539 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.06 -34.71 0.04 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 9.2 p-10 -69.25 -41.23 77.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.073 0.463 . . . . 0.0 109.775 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.681 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -54.62 -50.89 67.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.201 179.463 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.574 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.6 m-85 -57.67 -48.11 80.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.961 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.678 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.1 mtt-85 -50.83 -38.94 51.91 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.912 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -70.9 -44.9 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.011 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -72.31 -51.59 20.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 6' ' ' PHE . 34.5 mtmt -51.05 -32.95 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.02 -43.42 78.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -61.38 -41.08 96.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.837 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.684 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.0 mp -67.81 -37.6 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.31 -51.76 30.26 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -63.12 -57.09 11.73 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.61 -43.83 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.978 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.684 ' N ' ' O ' ' A' ' 13' ' ' ILE . 72.0 t80 -57.53 -34.17 68.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -72.24 -59.12 2.89 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.278 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 20' ' ' ILE . 20.1 ptt180 -58.52 -49.35 77.69 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.616 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.536 ' CG2' HG23 ' A' ' 21' ' ' VAL . 5.1 tt -58.65 -42.05 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.297 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG23 ' CG2' ' A' ' 20' ' ' ILE . 43.3 t . . . . . 0 N--CA 1.464 0.254 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 5' ' ' PHE . 8.0 tp . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.203 0.525 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -33.98 -34.86 0.04 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' LEU . 49.7 t0 -68.62 -41.9 78.86 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.696 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -53.93 -49.58 68.36 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.902 179.16 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.641 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.7 m-85 -57.14 -44.39 83.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.792 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.413 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -51.0 -46.26 61.42 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.94 -179.54 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 12.7 tmtt? -72.48 -38.61 68.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.172 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -73.0 -50.36 23.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.607 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.0 mtmp? -51.52 -38.64 55.08 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.47 -53.54 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 27.7 mmtm -55.89 -48.74 75.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.742 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.4 mp -61.78 -32.65 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.82 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . -50.64 -55.53 16.95 Favored Glycine 0 C--O 1.227 -0.33 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' CE ' ' N ' ' A' ' 15' ' ' LYS . 4.1 mmpt? -53.72 -54.16 41.94 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.18 -0.51 . . . . 0.0 110.625 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.937 ' O ' HG23 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -63.37 -51.86 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.939 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.745 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -67.05 -20.32 65.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.206 -179.487 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 14' ' ' GLY . 27.9 tptt -73.35 -27.56 61.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.025 178.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.669 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -95.04 -17.03 22.24 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.244 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.937 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -90.16 -44.59 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.77 178.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 17' ' ' PHE . 3.0 p . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.732 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.0 tp . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 121.332 0.587 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.07 -34.91 0.04 OUTLIER Glycine 0 CA--C 1.526 0.779 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.161 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 2' ' ' LEU . 8.7 p-10 -68.92 -41.28 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.68 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -54.74 -48.86 72.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.935 179.177 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 m-85 -62.11 -39.75 93.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.02 -46.6 61.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.6 mtpm? -69.15 -42.78 75.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.197 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -70.27 -50.59 37.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 6' ' ' PHE . 13.9 mtmt -50.88 -36.72 39.47 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -61.95 -53.4 56.2 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -53.79 -45.9 70.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.718 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.664 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -64.2 -35.34 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.13 -44.41 42.59 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -67.83 -57.21 6.67 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.14 -43.43 95.7 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.801 ' O ' HG12 ' A' ' 21' ' ' VAL . 60.8 t80 -52.79 -40.64 63.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.686 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -58.6 -46.5 86.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.131 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.641 HH11 ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -75.67 -25.81 57.1 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.461 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.41 -35.84 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.448 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 17' ' ' PHE . 8.7 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.594 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.413 HD12 ' H3 ' ' A' ' 1' ' ' LEU . 1.3 mp . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 5' ' ' PHE . 10.8 tp -48.04 -46.04 32.86 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.326 0.584 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.26 -34.67 0.04 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.54 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 67.1 m-20 -71.23 -40.65 70.95 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.698 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -54.06 -50.04 67.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.21 179.366 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.0 m-85 -62.77 -41.94 99.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.897 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.552 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.4 -39.09 56.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -71.28 -44.89 64.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 110.334 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -50.32 23.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' PHE . 3.2 mmmp? -51.37 -35.59 39.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.04 -41.29 71.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -68.83 -46.49 68.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.933 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.7 mp -68.14 -44.8 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.04 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' A' ' 18' ' ' LYS . . . -49.7 -47.42 37.96 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -69.85 -42.01 74.13 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.241 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.961 ' O ' HG23 ' A' ' 20' ' ' ILE . 19.3 mt-10 -70.31 -51.85 27.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.485 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.772 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -64.8 -20.16 66.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.711 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -73.79 -31.14 63.13 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.549 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -93.53 -16.53 24.35 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -86.7 -46.89 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.23 179.69 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 17' ' ' PHE . 4.0 p -93.9 44.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.101 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.82 77.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.407 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.661 ' CG ' HH11 ' A' ' 23' ' ' ARG . 3.4 mtt-85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.452 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 1' ' ' LEU . 11.2 mp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.1 tp -106.06 -48.16 3.67 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.231 0.538 . . . . 0.0 111.063 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.18 -34.72 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 2' ' ' LEU . 8.3 p-10 -68.47 -42.25 78.97 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -55.08 -48.36 73.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.887 179.09 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.0 m-85 -59.47 -46.06 89.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.671 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.647 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.72 -45.21 63.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -69.13 -40.77 78.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.167 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -73.97 -51.57 15.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.758 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' PHE . 39.8 mttm -50.98 -32.63 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -72.99 -47.64 43.48 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -58.31 -54.57 45.52 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.679 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.1 mp -61.25 -33.28 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.19 -49.77 36.23 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -65.29 -55.55 17.72 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 61.7 mm-40 -59.79 -42.58 93.67 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.679 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.1 t80 -54.5 -45.05 73.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.642 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -63.35 -35.2 79.6 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.368 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' NH2' ' OE2' ' A' ' 16' ' ' GLU . 26.4 mtm180 -80.93 -49.41 11.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.217 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.401 HG22 ' HA ' ' A' ' 17' ' ' PHE . 3.8 tt -60.08 -35.01 58.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.77 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.546 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 97.4 t -93.76 99.14 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HG3' ' H ' ' A' ' 22' ' ' GLN . 15.9 mt-30 -70.82 56.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.487 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.555 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.5 tt -85.69 -56.8 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.43 0.634 . . . . 0.0 110.837 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.38 -35.17 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 2' ' ' LEU . 10.8 t70 -63.61 -40.33 96.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -56.16 -50.18 71.88 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.209 178.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.697 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.3 m-85 -52.6 -48.7 66.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.561 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.665 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.9 mtt-85 -50.94 -40.75 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -72.36 -38.46 68.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.064 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -73.49 -50.91 19.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.495 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.31 -41.71 51.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -71.35 -38.56 71.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 16' ' ' GLU . 13.6 tmtt? -66.69 -48.03 70.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.876 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.661 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -66.59 -40.17 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.73 -49.11 35.24 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.76 -57.11 7.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 78.0 mt-10 -56.21 -46.07 79.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.83 ' O ' HG12 ' A' ' 21' ' ' VAL . 63.5 t80 -52.93 -53.84 43.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.486 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -52.79 -30.37 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.683 ' CG ' HH11 ' A' ' 19' ' ' ARG . 4.1 mtt-85 -89.75 -27.86 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.357 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.4 tt -77.84 -35.38 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.83 HG12 ' O ' ' A' ' 17' ' ' PHE . 7.2 p -114.98 70.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.726 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -89.49 79.49 6.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.614 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.671 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.563 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 1' ' ' LEU . 7.5 mp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.8 tt -63.61 -56.73 13.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 111.066 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.35 -35.03 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 2' ' ' LEU . 14.2 m-20 -62.98 -41.41 99.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.716 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -55.44 -48.37 74.56 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.524 178.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.716 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -51.19 -49.44 60.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.64 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -51.25 -50.98 58.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.136 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -67.78 -37.22 81.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.473 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.499 ' OG ' ' CD2' ' A' ' 5' ' ' PHE . 3.0 m -73.27 -50.79 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -51.81 -36.22 47.14 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.206 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -67.42 -53.42 29.27 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.23 -48.12 79.63 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -64.57 -33.47 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.76 -46.07 39.47 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.146 -1.181 . . . . 0.0 110.146 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.64 -56.32 9.85 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.75 -45.8 85.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.825 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 68.7 t80 -47.54 -42.13 22.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.189 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -67.18 -53.16 32.99 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -54.46 -26.35 30.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.631 HG22 HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -91.86 -31.82 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.153 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.825 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 78.2 t -101.65 18.38 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.273 0.558 . . . . 0.0 110.404 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 18' ' ' LYS . 24.8 mm-40 -110.63 21.02 17.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.213 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.42 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 1' ' ' LEU . 3.2 mm? . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.721 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.7 tt -84.93 -56.66 3.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.384 0.612 . . . . 0.0 110.719 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.37 -35.19 0.07 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 2' ' ' LEU . 21.3 t70 -61.74 -40.13 94.0 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.721 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -58.04 -48.33 80.41 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.156 178.622 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.704 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -51.29 -45.69 62.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.279 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -54.11 -51.24 64.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -70.84 -32.49 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.211 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 5.9 t -74.07 -52.54 12.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.634 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -52.02 -37.59 53.93 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -64.01 -41.89 97.33 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -62.74 -44.3 96.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.158 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.15 -44.63 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' ' 18' ' ' LYS . . . -49.65 -46.19 38.48 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -74.68 -36.14 62.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.682 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.23 -40.61 58.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.896 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -76.08 -34.47 59.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.756 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.644 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -73.39 -28.05 61.8 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.434 -179.228 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -79.79 -36.13 37.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.053 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 tt -74.93 -38.97 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.315 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.896 HG12 ' O ' ' A' ' 17' ' ' PHE . 6.0 p -98.23 53.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.001 0.429 . . . . 0.0 110.963 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.567 ' O ' ' C ' ' A' ' 23' ' ' ARG . 20.9 mt-30 -73.2 85.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.567 ' C ' ' O ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.805 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 5' ' ' PHE . 6.5 tp -117.16 -48.28 2.64 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.158 0.504 . . . . 0.0 111.538 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.02 -34.53 0.03 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 2' ' ' LEU . 16.3 p-10 -68.33 -41.06 81.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.192 0.52 . . . . 0.0 109.611 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.696 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -56.39 -51.75 67.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.103 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 3.6 m-85 -56.04 -43.71 78.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.746 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.63 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.26 -43.39 61.53 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -72.49 -37.25 68.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.127 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -73.24 -51.35 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -51.75 -41.62 61.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.145 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.3 -47.24 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.382 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -64.83 -49.59 70.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.661 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -61.13 -46.29 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-O 120.855 0.36 . . . . 0.0 110.181 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.21 -45.99 34.63 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -74.36 -39.26 62.87 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 59.9 mt-10 -74.97 -43.6 53.12 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.641 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -69.61 -22.43 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.455 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -73.02 -39.58 65.87 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.311 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.66 HH11 ' HG2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -83.49 -24.73 31.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.045 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -82.65 -36.27 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 0.0 110.423 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 17' ' ' PHE . 4.5 p -84.2 37.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.664 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -43.75 88.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' A' ' 21' ' ' VAL . 19.4 mmm180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.669 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.704 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.1 tt -79.41 -56.45 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.413 0.625 . . . . 0.0 110.767 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.21 -35.18 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' LEU . 18.0 t0 -62.73 -41.68 99.3 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -55.4 -50.39 69.86 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.314 178.692 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.698 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -53.06 -47.0 68.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -50.87 -40.42 56.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -72.58 -40.06 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.177 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 8.5 t -72.1 -51.41 21.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.476 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' PHE . 1.8 mptm? -50.19 -41.82 50.14 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.59 -39.4 94.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -59.5 -42.34 91.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.112 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.691 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.0 mp -63.06 -43.79 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.85 -44.01 39.63 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -74.08 -54.06 8.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -60.43 -40.62 91.76 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.691 ' N ' ' O ' ' A' ' 13' ' ' ILE . 69.1 t80 -58.23 -46.95 84.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.609 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -61.53 -30.45 70.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.589 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -84.14 -49.43 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.031 0.444 . . . . 0.0 110.233 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.407 HG22 ' HA ' ' A' ' 17' ' ' PHE . 3.8 tt -63.79 -34.03 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.961 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 17' ' ' PHE . 1.6 p -92.5 14.58 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.526 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 7.7 pt20 21.68 35.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.886 -1.052 . . . . 0.0 113.067 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.666 ' N ' ' O ' ' A' ' 21' ' ' VAL . 10.7 ptm180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.507 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 1' ' ' LEU . 8.3 mp . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.7 tt -70.23 -56.51 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.31 -35.28 0.07 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' LEU . 31.3 t70 -61.65 -40.7 95.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -57.17 -50.87 71.47 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.259 178.735 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.704 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.9 m-85 -51.92 -47.42 64.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.313 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.678 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.7 OUTLIER -51.06 -41.85 60.16 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.139 -179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -67.83 -45.75 73.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.245 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -73.12 -50.99 19.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.441 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' PHE . 23.7 mmtt -50.16 -31.16 12.92 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -74.65 -38.76 62.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -64.47 -40.9 96.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.164 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.676 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.2 mp -68.49 -43.34 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.08 -46.06 42.34 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -52.14 14.69 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.0 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -60.64 -42.16 96.37 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.863 ' O ' HG12 ' A' ' 21' ' ' VAL . 65.8 t80 -57.0 -50.94 71.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.619 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -53.89 -29.43 41.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.676 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -90.28 -29.8 17.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.901 0.381 . . . . 0.0 110.075 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.5 tt -75.38 -36.45 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 17' ' ' PHE . 7.3 p -112.83 69.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.493 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -89.33 84.67 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.679 ' CG ' HH11 ' A' ' 23' ' ' ARG . 3.5 mtt-85 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.472 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.713 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.6 tp -58.42 -46.67 86.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.335 0.588 . . . . 0.0 111.033 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.27 -34.67 0.04 OUTLIER Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 2' ' ' LEU . 22.8 t0 -69.53 -39.41 77.51 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.713 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.64 -51.97 66.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.202 179.309 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.656 ' O ' ' N ' ' A' ' 10' ' ' LYS . 5.4 m-85 -57.44 -43.77 84.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.667 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.643 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -51.16 -42.9 61.11 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -69.39 -44.26 71.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.865 0.364 . . . . 0.0 110.192 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -73.26 -50.81 20.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.507 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 6' ' ' PHE . 12.4 mttm -51.42 -31.91 24.63 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 17.6 mt-10 -66.85 -53.06 36.3 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -55.43 -45.48 76.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.708 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.621 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -67.67 -33.47 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.35 -43.44 43.63 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -71.13 -57.38 4.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.95 -40.01 79.48 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 13' ' ' ILE . 73.2 t80 -59.42 -48.38 81.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.882 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -51.98 -37.15 52.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -80.96 -29.53 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.298 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.41 -36.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.678 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.7 p -88.37 52.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.836 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.99 64.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.497 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 21' ' ' VAL . 47.2 mtp180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.823 ' O ' HD22 ' A' ' 1' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.233 0.54 . . . . 0.0 109.866 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.683 ' O ' ' N ' ' A' ' 5' ' ' PHE . 7.0 tp -119.28 -46.95 2.48 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.078 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.08 -34.57 0.04 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.6 t70 -68.94 -41.78 77.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.683 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -53.93 -50.57 66.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.209 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.2 m-85 -56.82 -47.62 79.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.862 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -50.86 -41.85 58.38 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.974 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -71.0 -40.14 72.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.125 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -73.48 -51.49 16.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.693 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' PHE . 10.6 mttp -51.22 -36.17 40.33 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -73.26 -48.08 37.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' OE1' ' A' ' 16' ' ' GLU . 11.9 tptp -57.16 -50.4 72.95 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.86 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -59.65 -33.0 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.17 -46.79 62.15 Favored Glycine 0 C--N 1.328 0.136 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -62.44 -57.57 10.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.353 -0.423 . . . . 0.0 110.494 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.533 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 19.4 mp0 -62.58 -46.19 89.45 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.663 ' N ' ' O ' ' A' ' 13' ' ' ILE . 72.4 t80 -50.85 -33.69 24.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.669 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -72.62 -55.84 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.645 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.744 HH11 ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -68.9 -43.99 74.12 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.065 -179.096 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 4.9 tt -58.81 -42.76 86.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.599 0.238 . . . . 0.0 110.902 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.813 ' O ' HG12 ' A' ' 21' ' ' VAL . 92.3 t -85.76 30.37 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 121.064 0.459 . . . . 0.0 110.176 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' A' ' 21' ' ' VAL . 8.6 mt-30 28.68 60.16 0.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.282 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.507 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 1' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.3 tt -84.33 -56.77 3.46 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.429 0.633 . . . . 0.0 111.014 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.18 -35.21 0.06 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.2 m-20 -63.11 -42.16 99.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.714 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -54.23 -50.08 67.99 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.412 178.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.714 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.6 m-85 -51.6 -50.85 59.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.551 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.443 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -51.29 -39.91 57.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.09 -179.485 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.3 mtpm? -71.72 -43.38 65.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.121 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 m -73.06 -51.03 19.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.493 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.8 mtpt -51.08 -36.09 38.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 23.6 mt-10 -66.74 -43.95 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.18 -44.37 95.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.932 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.624 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.7 mp -66.28 -38.56 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.86 -50.36 32.5 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -62.47 -57.19 12.11 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 20' ' ' ILE . 46.4 mt-10 -56.84 -51.2 69.94 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.745 ' O ' HG12 ' A' ' 21' ' ' VAL . 77.9 t80 -46.53 -48.75 19.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.135 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -63.5 -20.84 65.93 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.982 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -96.16 -31.55 12.92 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.962 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -78.54 -47.72 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.636 -179.379 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 17' ' ' PHE . 7.4 p -105.03 55.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -63.15 88.54 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.52 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 1' ' ' LEU . 10.5 mp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.683 ' O ' ' N ' ' A' ' 5' ' ' PHE . 10.6 tp -62.26 -46.27 89.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.3 0.571 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.37 -34.86 0.04 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -178.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' LEU . 57.7 m-20 -72.26 -41.23 66.99 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.683 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -53.7 -48.74 69.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.739 179.084 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.546 ' CE1' ' NZ ' ' A' ' 10' ' ' LYS . 2.0 m-85 -65.67 -43.12 90.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.541 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -50.46 -31.03 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -75.27 -48.22 24.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.676 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 m -70.12 -51.58 30.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.322 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.546 ' NZ ' ' CE1' ' A' ' 6' ' ' PHE . 7.6 mptt -51.66 -39.7 58.65 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -54.8 -52.53 62.39 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 48.2 tttp -54.08 -45.12 71.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.837 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.1 mp -67.94 -37.27 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -50.21 -47.37 42.32 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -65.0 -57.34 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -59.32 -44.69 92.56 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.25 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.847 ' CE2' HG11 ' A' ' 21' ' ' VAL . 56.2 t80 -56.49 -47.19 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.287 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 22' ' ' GLN . 8.6 tptt -51.24 -56.62 11.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.933 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.676 ' CG ' HH11 ' A' ' 19' ' ' ARG . 2.5 mtt-85 -62.36 -17.32 58.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.436 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -21.65 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.562 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.847 HG11 ' CE2' ' A' ' 17' ' ' PHE . 7.6 p -132.63 28.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.324 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' O ' ' C ' ' A' ' 23' ' ' ARG . 1.1 pp0? -156.96 15.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.155 0.503 . . . . 0.0 110.724 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.515 ' C ' ' O ' ' A' ' 22' ' ' GLN . 13.7 ptt180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.355 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.587 HD22 ' N ' ' A' ' 1' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.717 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.8 tp -58.55 -47.12 85.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.227 0.537 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.2 -34.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -178.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 2' ' ' LEU . 22.0 t70 -69.23 -39.54 78.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.717 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.9 -46.26 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.931 179.132 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 m-85 -60.57 -42.65 97.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.731 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -51.73 -49.37 62.67 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.73 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -69.87 -36.64 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.503 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.507 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -74.73 -51.2 14.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.882 0.372 . . . . 0.0 110.766 179.626 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.1 mmmt -51.78 -35.95 45.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -53.08 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -59.29 -47.88 83.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.94 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.4 mp -65.87 -37.21 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.721 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.17 -50.04 29.29 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -74.4 -33.11 62.93 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.453 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.54 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 3.9 tt0 -76.09 -44.05 40.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 0.0 111.008 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.33 -23.38 61.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.301 -178.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.67 -45.17 60.24 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.506 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' HB3' ' HE ' ' A' ' 19' ' ' ARG . 17.0 mtp180 -72.78 -49.72 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.676 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 4.5 tt -54.15 -39.99 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.519 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 97.6 t -91.84 84.21 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.898 0.38 . . . . 0.0 110.122 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.442 ' O ' ' OXT' ' A' ' 23' ' ' ARG . 2.1 pt20 -82.08 82.93 7.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' OXT' ' O ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.831 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.725 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.7 tp -64.85 -46.99 79.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.3 0.571 . . . . 0.0 110.972 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.6 -35.08 0.05 OUTLIER Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.4 m-20 -69.84 -36.11 75.3 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -59.84 -51.06 71.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.182 179.366 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.595 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.3 m-85 -55.87 -49.13 74.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.034 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -50.95 -45.25 60.64 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.051 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -71.29 -37.8 71.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.212 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 5' ' ' PHE . 1.3 m -73.44 -51.18 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.686 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' GLY . 18.7 mttt -51.41 -39.26 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.06 -50.94 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -62.56 -47.81 82.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.254 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.68 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -68.01 -37.58 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -49.72 -48.28 36.68 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.07 -57.29 5.63 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.865 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' ILE . 95.9 mt-10 -56.61 -43.62 80.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.837 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.68 ' N ' ' O ' ' A' ' 13' ' ' ILE . 84.2 t80 -51.27 -41.27 60.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -66.27 -41.62 89.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.797 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 19' ' ' ARG . 6.4 ptp180 -87.97 -49.36 7.12 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.137 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.1 tt -54.95 -36.4 38.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.181 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -89.28 22.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.589 -179.64 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.584 ' C ' ' O ' ' A' ' 21' ' ' VAL . 12.6 pt20 -5.52 73.9 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.817 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' VAL . 9.1 ptm180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.606 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 1' ' ' LEU . 9.0 mp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.673 ' O ' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -51.68 -56.16 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.432 0.634 . . . . 0.0 110.886 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.26 -35.13 0.06 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 2' ' ' LEU . 9.2 t70 -59.28 -42.66 91.77 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.72 -49.91 74.97 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.261 178.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.683 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.2 m-85 -54.93 -47.37 74.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.614 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -50.86 -40.48 56.36 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.211 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -69.93 -44.6 69.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.982 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -50.13 50.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.624 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 14' ' ' GLY . 2.9 mptp? -50.73 -38.81 49.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.18 -53.38 58.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.76 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -58.99 -46.01 89.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.911 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.6 mp -66.99 -34.61 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -50.04 -48.09 39.44 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -56.03 12.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 80.2 mt-10 -59.69 -42.72 93.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.94 ' O ' HG12 ' A' ' 21' ' ' VAL . 53.0 t80 -55.97 -46.38 78.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.583 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -53.02 -47.33 68.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.169 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.615 HH11 ' HG3' ' A' ' 19' ' ' ARG . 2.1 ptm180 -76.09 -24.05 54.99 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.815 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -31.32 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.94 HG12 ' O ' ' A' ' 17' ' ' PHE . 13.6 p -116.66 65.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.87 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 23' ' ' ARG . 33.9 mt-30 -76.04 80.05 2.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.695 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' GLN . 37.1 mtp180 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.587 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.477 ' O ' ' OD2' ' A' ' 4' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.648 ' O ' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -38.59 -53.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.565 0.698 . . . . 0.0 111.26 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.85 -35.11 0.05 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -60.15 -44.97 94.56 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.417 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -53.63 -50.88 64.77 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.046 178.759 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.6 m-85 -55.7 -42.72 75.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.166 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -51.14 -38.76 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -71.83 -43.06 66.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.984 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 m -70.64 -50.6 35.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -40.53 56.16 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.33 -53.34 59.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.858 179.318 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -54.1 -47.87 71.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.632 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -62.12 -31.19 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.01 -44.98 83.2 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -71.85 -41.63 67.88 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.658 -179.519 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.935 ' O ' HG23 ' A' ' 20' ' ' ILE . 74.8 mt-10 -71.58 -50.33 32.04 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.698 ' O ' HG12 ' A' ' 21' ' ' VAL . 53.3 t80 -45.99 -47.51 16.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.258 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -19.49 64.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -92.1 -21.44 20.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.27 179.284 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -96.87 -45.23 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-O 120.994 0.426 . . . . 0.0 110.439 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 17' ' ' PHE . 3.0 p -82.09 35.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.758 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -43.04 89.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' A' ' 21' ' ' VAL . 3.2 ppt_? . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.455 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 1' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.8 tp -77.15 -47.6 19.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.261 0.553 . . . . 0.0 111.278 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.53 -35.01 0.05 OUTLIER Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 2' ' ' LEU . 17.1 m-20 -70.53 -34.27 72.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.018 0.437 . . . . 0.0 109.866 178.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.741 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -61.88 -49.63 75.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.345 179.496 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.3 m-85 -58.06 -52.92 63.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.377 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 8' ' ' LYS . 5.2 ptt180 -51.54 -40.43 59.65 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.983 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 17.2 tttp -74.06 -39.96 63.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.909 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -73.55 -51.61 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' PHE . 50.0 mttt -51.06 -39.72 56.64 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 7' ' ' ARG . 29.2 mt-10 -67.3 -43.87 80.62 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -55.51 -44.72 76.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.733 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.5 mp -58.44 -51.98 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.72 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.39 -33.85 8.54 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -68.21 -57.64 5.69 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.607 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.884 ' O ' HG23 ' A' ' 20' ' ' ILE . 9.9 pt-20 -67.14 -50.66 60.49 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.242 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.829 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -47.73 -30.97 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.106 179.357 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -72.84 -31.78 65.01 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.164 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.675 ' CG ' HH11 ' A' ' 19' ' ' ARG . 2.0 mtt-85 -88.97 -24.23 22.46 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.935 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -82.54 -47.53 18.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.707 -179.459 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.829 HG12 ' O ' ' A' ' 17' ' ' PHE . 4.5 p -87.12 51.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 24.1 mt-30 -63.28 69.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 21' ' ' VAL . 34.7 mtt180 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.436 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 1' ' ' LEU . 10.3 mp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.681 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.6 tp -38.82 -46.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.233 0.539 . . . . 0.0 111.471 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.06 -34.71 0.04 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 9.2 p-10 -69.25 -41.23 77.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.073 0.463 . . . . 0.0 109.775 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.681 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -54.62 -50.89 67.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.201 179.463 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.574 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.6 m-85 -57.67 -48.11 80.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.961 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.678 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.1 mtt-85 -50.83 -38.94 51.91 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.912 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -70.9 -44.9 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.011 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -72.31 -51.59 20.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 6' ' ' PHE . 34.5 mtmt -51.05 -32.95 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.02 -43.42 78.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -61.38 -41.08 96.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.837 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.684 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.0 mp -67.81 -37.6 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.31 -51.76 30.26 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -63.12 -57.09 11.73 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.61 -43.83 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.978 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.684 ' N ' ' O ' ' A' ' 13' ' ' ILE . 72.0 t80 -57.53 -34.17 68.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -72.24 -59.12 2.89 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.278 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 20' ' ' ILE . 20.1 ptt180 -58.52 -49.35 77.69 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.616 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.536 ' CG2' HG23 ' A' ' 21' ' ' VAL . 5.1 tt -58.65 -42.05 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.297 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.632 ' O ' ' N ' ' A' ' 23' ' ' ARG . 43.3 t -99.81 70.4 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.473 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.5 pt20 -39.08 83.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.632 ' N ' ' O ' ' A' ' 21' ' ' VAL . 50.8 mtp180 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.886 -1.054 . . . . 0.0 111.299 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 41.1 mt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 5' ' ' PHE . 8.0 tp -62.11 -47.91 82.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 111.257 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -33.98 -34.86 0.04 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' LEU . 49.7 t0 -68.62 -41.9 78.86 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.696 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -53.93 -49.58 68.36 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.902 179.16 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.641 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.7 m-85 -57.14 -44.39 83.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.792 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -51.0 -46.26 61.42 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.94 -179.54 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 12.7 tmtt? -72.48 -38.61 68.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.172 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -73.0 -50.36 23.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.607 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.0 mtmp? -51.52 -38.64 55.08 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.47 -53.54 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 27.7 mmtm -55.89 -48.74 75.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.742 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.4 mp -61.78 -32.65 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.82 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . -50.64 -55.53 16.95 Favored Glycine 0 C--O 1.227 -0.33 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' CE ' ' N ' ' A' ' 15' ' ' LYS . 4.1 mmpt? -53.72 -54.16 41.94 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.18 -0.51 . . . . 0.0 110.625 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.937 ' O ' HG23 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -63.37 -51.86 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.939 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.745 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -67.05 -20.32 65.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.206 -179.487 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 14' ' ' GLY . 27.9 tptt -73.35 -27.56 61.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.025 178.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.669 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -95.04 -17.03 22.24 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.244 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.937 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -90.16 -44.59 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.77 178.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 17' ' ' PHE . 3.0 p -80.91 28.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.732 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -49.16 87.51 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.734 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.659 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.499 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.443 ' O ' ' OD1' ' A' ' 4' ' ' ASP . 14.6 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.0 tp -101.08 -46.11 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.332 0.587 . . . . 0.0 111.186 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.07 -34.91 0.04 OUTLIER Glycine 0 CA--C 1.526 0.779 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.161 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 2' ' ' LEU . 8.7 p-10 -68.92 -41.28 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.68 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -54.74 -48.86 72.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.935 179.177 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 m-85 -62.11 -39.75 93.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.02 -46.6 61.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.6 mtpm? -69.15 -42.78 75.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.197 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -70.27 -50.59 37.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 6' ' ' PHE . 13.9 mtmt -50.88 -36.72 39.47 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -61.95 -53.4 56.2 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -53.79 -45.9 70.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.718 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.664 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -64.2 -35.34 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.13 -44.41 42.59 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -67.83 -57.21 6.67 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.14 -43.43 95.7 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.801 ' O ' HG12 ' A' ' 21' ' ' VAL . 60.8 t80 -52.79 -40.64 63.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.686 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -58.6 -46.5 86.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.131 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.641 ' HG3' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -75.67 -25.81 57.1 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.461 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.41 -35.84 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.448 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 17' ' ' PHE . 8.7 p -96.65 54.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.594 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 25.5 mt-30 -68.23 43.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.653 ' CB ' HH11 ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.624 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 5' ' ' PHE . 10.8 tp . . . . . 0 CA--C 1.517 -0.318 0 CA-C-O 121.326 0.584 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.26 -34.67 0.04 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.54 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 67.1 m-20 -71.23 -40.65 70.95 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.698 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -54.06 -50.04 67.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.21 179.366 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.0 m-85 -62.77 -41.94 99.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.897 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.552 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.4 -39.09 56.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -71.28 -44.89 64.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 110.334 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -50.32 23.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' PHE . 3.2 mmmp? -51.37 -35.59 39.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.04 -41.29 71.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -68.83 -46.49 68.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.933 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.7 mp -68.14 -44.8 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.04 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' A' ' 18' ' ' LYS . . . -49.7 -47.42 37.96 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -69.85 -42.01 74.13 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.241 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.961 ' O ' HG23 ' A' ' 20' ' ' ILE . 19.3 mt-10 -70.31 -51.85 27.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.485 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.772 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -64.8 -20.16 66.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.711 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -73.79 -31.14 63.13 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.549 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -93.53 -16.53 24.35 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -86.7 -46.89 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.23 179.69 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 17' ' ' PHE . 4.0 p . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.101 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.1 tp . . . . . 0 CA--C 1.517 -0.315 0 CA-C-O 121.231 0.538 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.18 -34.72 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 2' ' ' LEU . 8.3 p-10 -68.47 -42.25 78.97 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -55.08 -48.36 73.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.887 179.09 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.0 m-85 -59.47 -46.06 89.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.671 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.647 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.72 -45.21 63.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -69.13 -40.77 78.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.167 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -73.97 -51.57 15.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.758 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' PHE . 39.8 mttm -50.98 -32.63 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -72.99 -47.64 43.48 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -58.31 -54.57 45.52 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.679 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.1 mp -61.25 -33.28 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.19 -49.77 36.23 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -65.29 -55.55 17.72 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 61.7 mm-40 -59.79 -42.58 93.67 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.679 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.1 t80 -54.5 -45.05 73.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.642 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -63.35 -35.2 79.6 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.368 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' NH2' ' OE2' ' A' ' 16' ' ' GLU . 26.4 mtm180 -80.93 -49.41 11.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.217 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.401 HG22 ' HA ' ' A' ' 17' ' ' PHE . 3.8 tt -60.08 -35.01 58.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.77 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.546 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 97.4 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.5 tt . . . . . 0 CA--C 1.519 -0.232 0 CA-C-O 121.43 0.634 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.38 -35.17 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 2' ' ' LEU . 10.8 t70 -63.61 -40.33 96.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -56.16 -50.18 71.88 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.209 178.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.697 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.3 m-85 -52.6 -48.7 66.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.561 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.665 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.9 mtt-85 -50.94 -40.75 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -72.36 -38.46 68.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.064 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -73.49 -50.91 19.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.495 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.31 -41.71 51.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -71.35 -38.56 71.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 16' ' ' GLU . 13.6 tmtt? -66.69 -48.03 70.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.876 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.661 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -66.59 -40.17 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.73 -49.11 35.24 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.76 -57.11 7.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 78.0 mt-10 -56.21 -46.07 79.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.83 ' O ' HG12 ' A' ' 21' ' ' VAL . 63.5 t80 -52.93 -53.84 43.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.486 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -52.79 -30.37 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.683 ' CG ' HH11 ' A' ' 19' ' ' ARG . 4.1 mtt-85 -89.75 -27.86 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.357 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.4 tt -77.84 -35.38 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.83 HG12 ' O ' ' A' ' 17' ' ' PHE . 7.2 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.726 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.8 tt . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 121.431 0.634 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.35 -35.03 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 2' ' ' LEU . 14.2 m-20 -62.98 -41.41 99.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.716 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -55.44 -48.37 74.56 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.524 178.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.716 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -51.19 -49.44 60.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.64 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -51.25 -50.98 58.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.136 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -67.78 -37.22 81.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.473 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.499 ' OG ' ' CD2' ' A' ' 5' ' ' PHE . 3.0 m -73.27 -50.79 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -51.81 -36.22 47.14 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.206 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -67.42 -53.42 29.27 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.23 -48.12 79.63 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -64.57 -33.47 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.76 -46.07 39.47 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.146 -1.181 . . . . 0.0 110.146 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.64 -56.32 9.85 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.75 -45.8 85.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.825 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 68.7 t80 -47.54 -42.13 22.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.189 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.18 -53.16 32.99 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -54.46 -26.35 30.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.631 HG22 HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -91.86 -31.82 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.153 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.825 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 78.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.273 0.558 . . . . 0.0 110.404 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.721 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.7 tt . . . . . 0 CA--C 1.518 -0.259 0 CA-C-O 121.384 0.612 . . . . 0.0 110.719 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.37 -35.19 0.07 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 2' ' ' LEU . 21.3 t70 -61.74 -40.13 94.0 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.721 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -58.04 -48.33 80.41 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.156 178.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.704 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -51.29 -45.69 62.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.279 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -54.11 -51.24 64.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -70.84 -32.49 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.211 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 5.9 t -74.07 -52.54 12.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.634 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -52.02 -37.59 53.93 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -64.01 -41.89 97.33 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -62.74 -44.3 96.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.158 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.15 -44.63 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' ' 18' ' ' LYS . . . -49.65 -46.19 38.48 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -74.68 -36.14 62.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.682 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.23 -40.61 58.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.896 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -76.08 -34.47 59.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.644 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -73.39 -28.05 61.8 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.434 -179.228 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -79.79 -36.13 37.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.053 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 tt -74.93 -38.97 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.315 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.896 HG12 ' O ' ' A' ' 17' ' ' PHE . 6.0 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 121.001 0.429 . . . . 0.0 110.963 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 5' ' ' PHE . 6.5 tp . . . . . 0 CA--C 1.518 -0.25 0 CA-C-O 121.158 0.504 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.02 -34.53 0.03 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 2' ' ' LEU . 16.3 p-10 -68.33 -41.06 81.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.192 0.52 . . . . 0.0 109.611 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.696 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -56.39 -51.75 67.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.103 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 3.6 m-85 -56.04 -43.71 78.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.746 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.63 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.26 -43.39 61.53 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -72.49 -37.25 68.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.127 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -73.24 -51.35 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -51.75 -41.62 61.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.145 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.3 -47.24 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.382 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -64.83 -49.59 70.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.661 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -61.13 -46.29 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-O 120.855 0.36 . . . . 0.0 110.181 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.21 -45.99 34.63 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -74.36 -39.26 62.87 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 59.9 mt-10 -74.97 -43.6 53.12 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.641 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -69.61 -22.43 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.455 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -73.02 -39.58 65.87 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.311 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.66 HH11 ' HG2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -83.49 -24.73 31.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.045 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -82.65 -36.27 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 0.0 110.423 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 17' ' ' PHE . 4.5 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.664 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.704 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.1 tt . . . . . 0 CA--C 1.518 -0.264 0 CA-C-O 121.413 0.625 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.21 -35.18 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' LEU . 18.0 t0 -62.73 -41.68 99.3 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -55.4 -50.39 69.86 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.314 178.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.698 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -53.06 -47.0 68.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -50.87 -40.42 56.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -72.58 -40.06 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.177 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 8.5 t -72.1 -51.41 21.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.476 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' PHE . 1.8 mptm? -50.19 -41.82 50.14 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.59 -39.4 94.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -59.5 -42.34 91.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.112 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.691 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.0 mp -63.06 -43.79 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.85 -44.01 39.63 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -74.08 -54.06 8.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -60.43 -40.62 91.76 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.691 ' N ' ' O ' ' A' ' 13' ' ' ILE . 69.1 t80 -58.23 -46.95 84.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.609 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -61.53 -30.45 70.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.589 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -84.14 -49.43 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.031 0.444 . . . . 0.0 110.233 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.407 HG22 ' HA ' ' A' ' 17' ' ' PHE . 3.8 tt -63.79 -34.03 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.961 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 17' ' ' PHE . 1.6 p . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.526 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.7 tt . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 121.551 0.691 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.31 -35.28 0.07 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' LEU . 31.3 t70 -61.65 -40.7 95.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -57.17 -50.87 71.47 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.259 178.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.704 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.9 m-85 -51.92 -47.42 64.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.313 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.678 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.7 OUTLIER -51.06 -41.85 60.16 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.139 -179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -67.83 -45.75 73.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.245 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -73.12 -50.99 19.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.441 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' PHE . 23.7 mmtt -50.16 -31.16 12.92 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -74.65 -38.76 62.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -64.47 -40.9 96.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.164 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.676 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.2 mp -68.49 -43.34 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.08 -46.06 42.34 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -52.14 14.69 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.0 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -60.64 -42.16 96.37 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.863 ' O ' HG12 ' A' ' 21' ' ' VAL . 65.8 t80 -57.0 -50.94 71.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.619 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -53.89 -29.43 41.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.676 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -90.28 -29.8 17.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.901 0.381 . . . . 0.0 110.075 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.5 tt -75.38 -36.45 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 17' ' ' PHE . 7.3 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.493 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.713 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.6 tp . . . . . 0 CA--C 1.517 -0.304 0 CA-C-O 121.335 0.588 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.27 -34.67 0.04 OUTLIER Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 2' ' ' LEU . 22.8 t0 -69.53 -39.41 77.51 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.713 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.64 -51.97 66.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.202 179.309 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.656 ' O ' ' N ' ' A' ' 10' ' ' LYS . 5.4 m-85 -57.44 -43.77 84.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.667 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.643 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -51.16 -42.9 61.11 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -69.39 -44.26 71.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.865 0.364 . . . . 0.0 110.192 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -73.26 -50.81 20.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.507 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 6' ' ' PHE . 12.4 mttm -51.42 -31.91 24.63 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 17.6 mt-10 -66.85 -53.06 36.3 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -55.43 -45.48 76.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.708 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.621 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -67.67 -33.47 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.35 -43.44 43.63 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -71.13 -57.38 4.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.95 -40.01 79.48 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 13' ' ' ILE . 73.2 t80 -59.42 -48.38 81.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.882 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -51.98 -37.15 52.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -80.96 -29.53 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.298 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.41 -36.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.678 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.7 p . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.836 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.683 ' O ' ' N ' ' A' ' 5' ' ' PHE . 7.0 tp . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 121.374 0.606 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.08 -34.57 0.04 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.6 t70 -68.94 -41.78 77.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.683 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -53.93 -50.57 66.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.209 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.2 m-85 -56.82 -47.62 79.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.862 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -50.86 -41.85 58.38 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.974 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -71.0 -40.14 72.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.125 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -73.48 -51.49 16.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.693 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' PHE . 10.6 mttp -51.22 -36.17 40.33 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -73.26 -48.08 37.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' OE1' ' A' ' 16' ' ' GLU . 11.9 tptp -57.16 -50.4 72.95 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.86 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -59.65 -33.0 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.17 -46.79 62.15 Favored Glycine 0 C--N 1.328 0.136 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -62.44 -57.57 10.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.353 -0.423 . . . . 0.0 110.494 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.533 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 19.4 mp0 -62.58 -46.19 89.45 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.663 ' N ' ' O ' ' A' ' 13' ' ' ILE . 72.4 t80 -50.85 -33.69 24.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.669 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -72.62 -55.84 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.645 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.744 HH11 ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -68.9 -43.99 74.12 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.065 -179.096 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 4.9 tt -58.81 -42.76 86.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.599 0.238 . . . . 0.0 110.902 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.813 ' O ' HG12 ' A' ' 21' ' ' VAL . 92.3 t . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 121.064 0.459 . . . . 0.0 110.176 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.3 tt . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 121.429 0.633 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.18 -35.21 0.06 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.2 m-20 -63.11 -42.16 99.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.714 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -54.23 -50.08 67.99 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.412 178.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.714 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.6 m-85 -51.6 -50.85 59.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.551 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.443 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -51.29 -39.91 57.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.09 -179.485 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.3 mtpm? -71.72 -43.38 65.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.121 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 m -73.06 -51.03 19.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.493 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.8 mtpt -51.08 -36.09 38.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 23.6 mt-10 -66.74 -43.95 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.18 -44.37 95.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.932 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.624 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.7 mp -66.28 -38.56 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.86 -50.36 32.5 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -62.47 -57.19 12.11 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 20' ' ' ILE . 46.4 mt-10 -56.84 -51.2 69.94 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.745 ' O ' HG12 ' A' ' 21' ' ' VAL . 77.9 t80 -46.53 -48.75 19.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.135 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -63.5 -20.84 65.93 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.982 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -96.16 -31.55 12.92 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.962 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -78.54 -47.72 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.636 -179.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 17' ' ' PHE . 7.4 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.683 ' O ' ' N ' ' A' ' 5' ' ' PHE . 10.6 tp . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 121.3 0.571 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.37 -34.86 0.04 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -178.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' LEU . 57.7 m-20 -72.26 -41.23 66.99 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.683 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -53.7 -48.74 69.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.739 179.084 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.546 ' CE1' ' NZ ' ' A' ' 10' ' ' LYS . 2.0 m-85 -65.67 -43.12 90.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.541 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -50.46 -31.03 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -75.27 -48.22 24.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.676 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 m -70.12 -51.58 30.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.322 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.546 ' NZ ' ' CE1' ' A' ' 6' ' ' PHE . 7.6 mptt -51.66 -39.7 58.65 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -54.8 -52.53 62.39 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 48.2 tttp -54.08 -45.12 71.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.837 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.1 mp -67.94 -37.27 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -50.21 -47.37 42.32 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -65.0 -57.34 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -59.32 -44.69 92.56 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.25 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.847 ' CE2' HG11 ' A' ' 21' ' ' VAL . 56.2 t80 -56.49 -47.19 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.287 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -51.24 -56.62 11.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.933 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.676 ' CG ' HH11 ' A' ' 19' ' ' ARG . 2.5 mtt-85 -62.36 -17.32 58.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.436 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -21.65 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.562 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.847 HG11 ' CE2' ' A' ' 17' ' ' PHE . 7.6 p . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.324 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.717 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.8 tp . . . . . 0 CA--C 1.517 -0.294 0 CA-C-O 121.227 0.537 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.2 -34.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -178.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 2' ' ' LEU . 22.0 t70 -69.23 -39.54 78.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.717 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.9 -46.26 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.931 179.132 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 m-85 -60.57 -42.65 97.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.731 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -51.73 -49.37 62.67 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.73 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -69.87 -36.64 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.503 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.507 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -74.73 -51.2 14.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.882 0.372 . . . . 0.0 110.766 179.626 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.1 mmmt -51.78 -35.95 45.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -53.08 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -59.29 -47.88 83.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.94 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.4 mp -65.87 -37.21 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.721 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.17 -50.04 29.29 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -74.4 -33.11 62.93 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.453 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.54 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 3.9 tt0 -76.09 -44.05 40.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 0.0 111.008 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.33 -23.38 61.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.301 -178.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.67 -45.17 60.24 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.506 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' HB3' ' HE ' ' A' ' 19' ' ' ARG . 17.0 mtp180 -72.78 -49.72 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.676 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 4.5 tt -54.15 -39.99 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.519 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 97.6 t . . . . . 0 C--N 1.332 -0.184 0 CA-C-O 120.898 0.38 . . . . 0.0 110.122 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.725 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.7 tp . . . . . 0 CA--C 1.518 -0.283 0 CA-C-O 121.3 0.571 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.6 -35.08 0.05 OUTLIER Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.4 m-20 -69.84 -36.11 75.3 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -59.84 -51.06 71.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.182 179.366 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.595 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.3 m-85 -55.87 -49.13 74.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.034 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -50.95 -45.25 60.64 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.051 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -71.29 -37.8 71.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.212 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 5' ' ' PHE . 1.3 m -73.44 -51.18 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.686 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' GLY . 18.7 mttt -51.41 -39.26 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.06 -50.94 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -62.56 -47.81 82.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.254 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.68 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -68.01 -37.58 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -49.72 -48.28 36.68 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.07 -57.29 5.63 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.865 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' ILE . 95.9 mt-10 -56.61 -43.62 80.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.837 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.68 ' N ' ' O ' ' A' ' 13' ' ' ILE . 84.2 t80 -51.27 -41.27 60.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -66.27 -41.62 89.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.797 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 19' ' ' ARG . 6.4 ptp180 -87.97 -49.36 7.12 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.137 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.1 tt -54.95 -36.4 38.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.181 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.589 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.673 ' O ' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 121.432 0.634 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.26 -35.13 0.06 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 2' ' ' LEU . 9.2 t70 -59.28 -42.66 91.77 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.72 -49.91 74.97 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.261 178.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.683 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.2 m-85 -54.93 -47.37 74.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.614 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -50.86 -40.48 56.36 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.211 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -69.93 -44.6 69.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.982 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -50.13 50.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.624 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 14' ' ' GLY . 2.9 mptp? -50.73 -38.81 49.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.18 -53.38 58.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.76 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -58.99 -46.01 89.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.911 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.6 mp -66.99 -34.61 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -50.04 -48.09 39.44 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -56.03 12.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 80.2 mt-10 -59.69 -42.72 93.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.94 ' O ' HG12 ' A' ' 21' ' ' VAL . 53.0 t80 -55.97 -46.38 78.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.583 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -53.02 -47.33 68.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.169 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.615 HH11 ' HG3' ' A' ' 19' ' ' ARG . 2.1 ptm180 -76.09 -24.05 54.99 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.815 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -31.32 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.94 HG12 ' O ' ' A' ' 17' ' ' PHE . 13.6 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.648 ' O ' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.518 -0.256 0 CA-C-O 121.565 0.698 . . . . 0.0 111.26 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.85 -35.11 0.05 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -60.15 -44.97 94.56 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.417 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -53.63 -50.88 64.77 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.046 178.759 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.6 m-85 -55.7 -42.72 75.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.166 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -51.14 -38.76 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -71.83 -43.06 66.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.984 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 m -70.64 -50.6 35.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -40.53 56.16 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.33 -53.34 59.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.858 179.318 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -54.1 -47.87 71.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.632 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -62.12 -31.19 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.01 -44.98 83.2 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -71.85 -41.63 67.88 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.658 -179.519 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.935 ' O ' HG23 ' A' ' 20' ' ' ILE . 74.8 mt-10 -71.58 -50.33 32.04 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.698 ' O ' HG12 ' A' ' 21' ' ' VAL . 53.3 t80 -45.99 -47.51 16.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.258 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -19.49 64.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -92.1 -21.44 20.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.27 179.284 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -96.87 -45.23 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-O 120.994 0.426 . . . . 0.0 110.439 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 17' ' ' PHE . 3.0 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.758 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.8 tp . . . . . 0 C--O 1.224 -0.246 0 CA-C-O 121.261 0.553 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.53 -35.01 0.05 OUTLIER Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 2' ' ' LEU . 17.1 m-20 -70.53 -34.27 72.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.018 0.437 . . . . 0.0 109.866 178.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.741 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -61.88 -49.63 75.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.345 179.496 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.3 m-85 -58.06 -52.92 63.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.377 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 8' ' ' LYS . 5.2 ptt180 -51.54 -40.43 59.65 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.983 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 17.2 tttp -74.06 -39.96 63.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.909 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -73.55 -51.61 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' PHE . 50.0 mttt -51.06 -39.72 56.64 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 7' ' ' ARG . 29.2 mt-10 -67.3 -43.87 80.62 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -55.51 -44.72 76.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.733 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.5 mp -58.44 -51.98 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.72 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.39 -33.85 8.54 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -68.21 -57.64 5.69 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.607 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.884 ' O ' HG23 ' A' ' 20' ' ' ILE . 9.9 pt-20 -67.14 -50.66 60.49 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.242 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.829 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -47.73 -30.97 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.106 179.357 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -72.84 -31.78 65.01 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.164 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.675 ' CG ' HH11 ' A' ' 19' ' ' ARG . 2.0 mtt-85 -88.97 -24.23 22.46 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.935 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -82.54 -47.53 18.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.707 -179.459 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.829 HG12 ' O ' ' A' ' 17' ' ' PHE . 4.5 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.681 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.6 tp . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 121.233 0.539 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.06 -34.71 0.04 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 9.2 p-10 -69.25 -41.23 77.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.073 0.463 . . . . 0.0 109.775 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.681 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -54.62 -50.89 67.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.201 179.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.574 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.6 m-85 -57.67 -48.11 80.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.961 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.678 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.1 mtt-85 -50.83 -38.94 51.91 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.912 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -70.9 -44.9 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.011 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -72.31 -51.59 20.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 6' ' ' PHE . 34.5 mtmt -51.05 -32.95 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.02 -43.42 78.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -61.38 -41.08 96.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.837 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.684 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.0 mp -67.81 -37.6 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.31 -51.76 30.26 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -63.12 -57.09 11.73 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.61 -43.83 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.978 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.684 ' N ' ' O ' ' A' ' 13' ' ' ILE . 72.0 t80 -57.53 -34.17 68.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -72.24 -59.12 2.89 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.278 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 20' ' ' ILE . 20.1 ptt180 -58.52 -49.35 77.69 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.616 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.536 ' CG2' HG23 ' A' ' 21' ' ' VAL . 5.1 tt -58.65 -42.05 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.297 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG23 ' CG2' ' A' ' 20' ' ' ILE . 43.3 t . . . . . 0 N--CA 1.464 0.254 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 5' ' ' PHE . 8.0 tp . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 121.203 0.525 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -33.98 -34.86 0.04 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' LEU . 49.7 t0 -68.62 -41.9 78.86 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.696 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -53.93 -49.58 68.36 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.902 179.16 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.641 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.7 m-85 -57.14 -44.39 83.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.792 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.413 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -51.0 -46.26 61.42 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.94 -179.54 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 12.7 tmtt? -72.48 -38.61 68.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.172 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -73.0 -50.36 23.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.607 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.0 mtmp? -51.52 -38.64 55.08 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.47 -53.54 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 27.7 mmtm -55.89 -48.74 75.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.742 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.4 mp -61.78 -32.65 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.82 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . -50.64 -55.53 16.95 Favored Glycine 0 C--O 1.227 -0.33 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' CE ' ' N ' ' A' ' 15' ' ' LYS . 4.1 mmpt? -53.72 -54.16 41.94 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.18 -0.51 . . . . 0.0 110.625 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.937 ' O ' HG23 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -63.37 -51.86 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.939 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.745 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -67.05 -20.32 65.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.206 -179.487 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 14' ' ' GLY . 27.9 tptt -73.35 -27.56 61.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.025 178.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.669 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -95.04 -17.03 22.24 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.244 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.937 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -90.16 -44.59 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.77 178.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 17' ' ' PHE . 3.0 p . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.732 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.0 tp . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 121.332 0.587 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.07 -34.91 0.04 OUTLIER Glycine 0 CA--C 1.526 0.779 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.161 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 2' ' ' LEU . 8.7 p-10 -68.92 -41.28 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.68 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -54.74 -48.86 72.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.935 179.177 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 m-85 -62.11 -39.75 93.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.02 -46.6 61.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.6 mtpm? -69.15 -42.78 75.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.197 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -70.27 -50.59 37.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 6' ' ' PHE . 13.9 mtmt -50.88 -36.72 39.47 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -61.95 -53.4 56.2 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -53.79 -45.9 70.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.718 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.664 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -64.2 -35.34 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.13 -44.41 42.59 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -67.83 -57.21 6.67 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.14 -43.43 95.7 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.801 ' O ' HG12 ' A' ' 21' ' ' VAL . 60.8 t80 -52.79 -40.64 63.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.686 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -58.6 -46.5 86.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.131 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.641 HH11 ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -75.67 -25.81 57.1 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.461 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.41 -35.84 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.448 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 17' ' ' PHE . 8.7 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.594 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.413 HD12 ' H3 ' ' A' ' 1' ' ' LEU . 1.3 mp . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 5' ' ' PHE . 10.8 tp -48.04 -46.04 32.86 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-O 121.326 0.584 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.26 -34.67 0.04 OUTLIER Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.54 ' O ' ' NH1' ' A' ' 7' ' ' ARG . 67.1 m-20 -71.23 -40.65 70.95 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.698 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -54.06 -50.04 67.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.21 179.366 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.0 m-85 -62.77 -41.94 99.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.897 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.552 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.4 -39.09 56.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -71.28 -44.89 64.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.883 0.373 . . . . 0.0 110.334 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -50.32 23.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 6' ' ' PHE . 3.2 mmmp? -51.37 -35.59 39.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.04 -41.29 71.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt -68.83 -46.49 68.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.933 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.7 mp -68.14 -44.8 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.04 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.488 ' O ' ' CG ' ' A' ' 18' ' ' LYS . . . -49.7 -47.42 37.96 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -69.85 -42.01 74.13 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.241 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.961 ' O ' HG23 ' A' ' 20' ' ' ILE . 19.3 mt-10 -70.31 -51.85 27.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.485 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.772 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -64.8 -20.16 66.23 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.711 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -73.79 -31.14 63.13 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.549 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -93.53 -16.53 24.35 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -86.7 -46.89 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.23 179.69 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 17' ' ' PHE . 4.0 p -93.9 44.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.101 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -62.82 77.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.407 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.661 ' CG ' HH11 ' A' ' 23' ' ' ARG . 3.4 mtt-85 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.452 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 1' ' ' LEU . 11.2 mp . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.1 tp -106.06 -48.16 3.67 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.231 0.538 . . . . 0.0 111.063 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.18 -34.72 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 2' ' ' LEU . 8.3 p-10 -68.47 -42.25 78.97 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -55.08 -48.36 73.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.887 179.09 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.579 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.0 m-85 -59.47 -46.06 89.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.671 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.647 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.72 -45.21 63.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttp -69.13 -40.77 78.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.167 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -73.97 -51.57 15.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.758 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 6' ' ' PHE . 39.8 mttm -50.98 -32.63 21.67 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -72.99 -47.64 43.48 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -58.31 -54.57 45.52 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.679 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.1 mp -61.25 -33.28 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.19 -49.77 36.23 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -65.29 -55.55 17.72 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 61.7 mm-40 -59.79 -42.58 93.67 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.679 ' N ' ' O ' ' A' ' 13' ' ' ILE . 56.1 t80 -54.5 -45.05 73.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.642 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -63.35 -35.2 79.6 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.368 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' NH2' ' OE2' ' A' ' 16' ' ' GLU . 26.4 mtm180 -80.93 -49.41 11.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.217 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.401 HG22 ' HA ' ' A' ' 17' ' ' PHE . 3.8 tt -60.08 -35.01 58.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.77 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.546 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 97.4 t -93.76 99.14 9.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HG3' ' H ' ' A' ' 22' ' ' GLN . 15.9 mt-30 -70.82 56.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.487 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.555 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.5 tt -85.69 -56.8 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.43 0.634 . . . . 0.0 110.837 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.38 -35.17 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 2' ' ' LEU . 10.8 t70 -63.61 -40.33 96.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -56.16 -50.18 71.88 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.209 178.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.697 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.3 m-85 -52.6 -48.7 66.11 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.561 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.665 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.9 mtt-85 -50.94 -40.75 58.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -72.36 -38.46 68.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.064 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -73.49 -50.91 19.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.495 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.31 -41.71 51.51 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -71.35 -38.56 71.61 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 16' ' ' GLU . 13.6 tmtt? -66.69 -48.03 70.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.876 179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.661 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -66.59 -40.17 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.73 -49.11 35.24 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.736 -0.945 . . . . 0.0 110.736 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -66.76 -57.11 7.75 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 12' ' ' LYS . 78.0 mt-10 -56.21 -46.07 79.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.83 ' O ' HG12 ' A' ' 21' ' ' VAL . 63.5 t80 -52.93 -53.84 43.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.486 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -52.79 -30.37 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.683 ' CG ' HH11 ' A' ' 19' ' ' ARG . 4.1 mtt-85 -89.75 -27.86 19.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.357 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.4 tt -77.84 -35.38 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.541 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.83 HG12 ' O ' ' A' ' 17' ' ' PHE . 7.2 p -114.98 70.88 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.726 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -89.49 79.49 6.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.614 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.671 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.563 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 1' ' ' LEU . 7.5 mp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.692 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.8 tt -63.61 -56.73 13.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.431 0.634 . . . . 0.0 111.066 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.35 -35.03 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.419 -1.073 . . . . 0.0 110.419 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 2' ' ' LEU . 14.2 m-20 -62.98 -41.41 99.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.716 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -55.44 -48.37 74.56 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.524 178.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.716 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -51.19 -49.44 60.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.64 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -51.25 -50.98 58.15 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.136 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -67.78 -37.22 81.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.473 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.499 ' OG ' ' CD2' ' A' ' 5' ' ' PHE . 3.0 m -73.27 -50.79 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -51.81 -36.22 47.14 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.206 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -67.42 -53.42 29.27 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.23 -48.12 79.63 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -64.57 -33.47 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.76 -46.07 39.47 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.146 -1.181 . . . . 0.0 110.146 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.64 -56.32 9.85 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.75 -45.8 85.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.825 ' CZ ' HG21 ' A' ' 21' ' ' VAL . 68.7 t80 -47.54 -42.13 22.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.189 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 22' ' ' GLN . 0.8 OUTLIER -67.18 -53.16 32.99 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -54.46 -26.35 30.59 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.631 HG22 HG23 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -91.86 -31.82 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.153 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.825 HG21 ' CZ ' ' A' ' 17' ' ' PHE . 78.2 t -101.65 18.38 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.273 0.558 . . . . 0.0 110.404 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 18' ' ' LYS . 24.8 mm-40 -110.63 21.02 17.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.213 178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.42 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 1' ' ' LEU . 3.2 mm? . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.721 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.7 tt -84.93 -56.66 3.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.384 0.612 . . . . 0.0 110.719 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.37 -35.19 0.07 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.482 -1.047 . . . . 0.0 110.482 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 2' ' ' LEU . 21.3 t70 -61.74 -40.13 94.0 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.721 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -58.04 -48.33 80.41 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.156 178.622 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.704 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -51.29 -45.69 62.22 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.279 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -54.11 -51.24 64.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -70.84 -32.49 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.211 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 5.9 t -74.07 -52.54 12.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.634 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -52.02 -37.59 53.93 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -64.01 -41.89 97.33 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.4 tttp -62.74 -44.3 96.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.158 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.15 -44.63 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' ' 18' ' ' LYS . . . -49.65 -46.19 38.48 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -74.68 -36.14 62.78 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.682 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -75.23 -40.61 58.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.896 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -76.08 -34.47 59.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.644 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -73.39 -28.05 61.8 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.434 -179.228 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.456 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 2.3 ptm180 -79.79 -36.13 37.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.053 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 tt -74.93 -38.97 44.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.315 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.896 HG12 ' O ' ' A' ' 17' ' ' PHE . 6.0 p -98.23 53.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.001 0.429 . . . . 0.0 110.963 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.567 ' O ' ' C ' ' A' ' 23' ' ' ARG . 46.1 mt-30 -73.2 85.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.553 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.567 ' C ' ' O ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.805 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 5' ' ' PHE . 6.5 tp -117.16 -48.28 2.64 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.158 0.504 . . . . 0.0 111.538 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.02 -34.53 0.03 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 2' ' ' LEU . 16.3 p-10 -68.33 -41.06 81.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.192 0.52 . . . . 0.0 109.611 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.696 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -56.39 -51.75 67.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.103 179.254 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.569 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 3.6 m-85 -56.04 -43.71 78.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.746 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.63 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -51.26 -43.39 61.53 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mttm -72.49 -37.25 68.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.127 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -73.24 -51.35 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.75 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -51.75 -41.62 61.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.145 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.3 -47.24 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.382 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -64.83 -49.59 70.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.661 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.4 mp -61.13 -46.29 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 CA-C-O 120.855 0.36 . . . . 0.0 110.181 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.21 -45.99 34.63 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -74.36 -39.26 62.87 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.811 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 59.9 mt-10 -74.97 -43.6 53.12 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.641 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -69.61 -22.43 63.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.455 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -73.02 -39.58 65.87 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.311 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.66 HH11 ' HG2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -83.49 -24.73 31.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.045 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -82.65 -36.27 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 0.0 110.423 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 17' ' ' PHE . 4.5 p -84.2 37.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.664 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -43.75 88.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' A' ' 21' ' ' VAL . 19.4 mmm180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.669 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 17.7 mt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.704 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.1 tt -79.41 -56.45 4.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.413 0.625 . . . . 0.0 110.767 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.21 -35.18 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 2' ' ' LEU . 18.0 t0 -62.73 -41.68 99.3 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -55.4 -50.39 69.86 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.314 178.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.698 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.5 m-85 -53.06 -47.0 68.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.378 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.585 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -50.87 -40.42 56.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -72.58 -40.06 66.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.177 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.419 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 8.5 t -72.1 -51.41 21.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.476 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 6' ' ' PHE . 1.8 mptm? -50.19 -41.82 50.14 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -63.59 -39.4 94.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -59.5 -42.34 91.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.112 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.691 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.0 mp -63.06 -43.79 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.85 -44.01 39.63 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -74.08 -54.06 8.64 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -60.43 -40.62 91.76 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.691 ' N ' ' O ' ' A' ' 13' ' ' ILE . 69.1 t80 -58.23 -46.95 84.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.609 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -61.53 -30.45 70.64 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.589 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -84.14 -49.43 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.031 0.444 . . . . 0.0 110.233 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.407 HG22 ' HA ' ' A' ' 17' ' ' PHE . 3.8 tt -63.79 -34.03 65.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.961 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 17' ' ' PHE . 1.6 p -92.5 14.58 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.526 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 2.9 pt20 21.68 35.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.886 -1.052 . . . . 0.0 113.067 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.666 ' N ' ' O ' ' A' ' 21' ' ' VAL . 10.7 ptm180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.507 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.575 HD12 ' N ' ' A' ' 1' ' ' LEU . 8.3 mp . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.722 ' O ' ' N ' ' A' ' 5' ' ' PHE . 1.7 tt -70.23 -56.51 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.31 -35.28 0.07 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' LEU . 31.3 t70 -61.65 -40.7 95.85 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 178.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.722 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -57.17 -50.87 71.47 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.259 178.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.704 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.9 m-85 -51.92 -47.42 64.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.313 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.678 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.7 OUTLIER -51.06 -41.85 60.16 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.139 -179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -67.83 -45.75 73.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.245 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.6 t -73.12 -50.99 19.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.441 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' PHE . 23.7 mmtt -50.16 -31.16 12.92 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -74.65 -38.76 62.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -64.47 -40.9 96.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.164 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.676 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.2 mp -68.49 -43.34 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.08 -46.06 42.34 Favored Glycine 0 CA--C 1.52 0.36 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.46 -52.14 14.69 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.0 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -60.64 -42.16 96.37 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.863 ' O ' HG12 ' A' ' 21' ' ' VAL . 65.8 t80 -57.0 -50.94 71.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.619 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -53.89 -29.43 41.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.957 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.676 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -90.28 -29.8 17.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.901 0.381 . . . . 0.0 110.075 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.5 tt -75.38 -36.45 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.863 HG12 ' O ' ' A' ' 17' ' ' PHE . 7.3 p -112.83 69.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.493 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -89.33 84.67 6.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.679 ' CG ' HH11 ' A' ' 23' ' ' ARG . 3.5 mtt-85 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.472 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.713 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.6 tp -58.42 -46.67 86.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.335 0.588 . . . . 0.0 111.033 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.27 -34.67 0.04 OUTLIER Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.784 -0.927 . . . . 0.0 110.784 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 2' ' ' LEU . 22.8 t0 -69.53 -39.41 77.51 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.713 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.64 -51.97 66.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.202 179.309 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.656 ' O ' ' N ' ' A' ' 10' ' ' LYS . 5.4 m-85 -57.44 -43.77 84.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.667 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.643 HH11 ' HG3' ' A' ' 7' ' ' ARG . 0.1 OUTLIER -51.16 -42.9 61.11 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -69.39 -44.26 71.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.865 0.364 . . . . 0.0 110.192 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -73.26 -50.81 20.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.507 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.656 ' N ' ' O ' ' A' ' 6' ' ' PHE . 12.4 mttm -51.42 -31.91 24.63 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 17.6 mt-10 -66.85 -53.06 36.3 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.4 mttm -55.43 -45.48 76.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.708 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.621 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -67.67 -33.47 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.35 -43.44 43.63 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -71.13 -57.38 4.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.95 -40.01 79.48 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.621 ' N ' ' O ' ' A' ' 13' ' ' ILE . 73.2 t80 -59.42 -48.38 81.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.882 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -51.98 -37.15 52.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -80.96 -29.53 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.298 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.41 -36.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.678 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.7 p -88.37 52.03 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.836 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -66.99 64.62 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.497 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 21' ' ' VAL . 47.2 mtp180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.823 ' O ' HD22 ' A' ' 1' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 121.233 0.54 . . . . 0.0 109.866 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.683 ' O ' ' N ' ' A' ' 5' ' ' PHE . 7.0 tp -119.28 -46.95 2.48 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.078 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.08 -34.57 0.04 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -178.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.6 t70 -68.94 -41.78 77.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.683 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -53.93 -50.57 66.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.209 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.2 m-85 -56.82 -47.62 79.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.862 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -50.86 -41.85 58.38 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.974 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -71.0 -40.14 72.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.125 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 t -73.48 -51.49 16.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.693 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' PHE . 10.6 mttp -51.22 -36.17 40.33 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -73.26 -48.08 37.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' OE1' ' A' ' 16' ' ' GLU . 11.9 tptp -57.16 -50.4 72.95 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.86 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -59.65 -33.0 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.17 -46.79 62.15 Favored Glycine 0 C--N 1.328 0.136 0 N-CA-C 109.741 -1.343 . . . . 0.0 109.741 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -62.44 -57.57 10.75 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.353 -0.423 . . . . 0.0 110.494 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.533 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 19.4 mp0 -62.58 -46.19 89.45 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.663 ' N ' ' O ' ' A' ' 13' ' ' ILE . 72.4 t80 -50.85 -33.69 24.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.669 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -72.62 -55.84 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.645 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.744 HH11 ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -68.9 -43.99 74.12 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.501 -0.48 . . . . 0.0 111.065 -179.096 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 4.9 tt -58.81 -42.76 86.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.599 0.238 . . . . 0.0 110.902 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.813 ' O ' HG12 ' A' ' 21' ' ' VAL . 92.3 t -85.76 30.37 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 121.064 0.459 . . . . 0.0 110.176 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' A' ' 21' ' ' VAL . 8.6 mt-30 28.68 60.16 0.13 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.282 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.507 -179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 1' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.705 ' O ' ' N ' ' A' ' 5' ' ' PHE . 2.3 tt -84.33 -56.77 3.46 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.429 0.633 . . . . 0.0 111.014 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.18 -35.21 0.06 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.2 m-20 -63.11 -42.16 99.49 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.714 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -54.23 -50.08 67.99 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.412 178.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.714 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.6 m-85 -51.6 -50.85 59.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.551 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.443 ' O ' ' OE1' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -51.29 -39.91 57.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.09 -179.485 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.3 mtpm? -71.72 -43.38 65.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.121 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 m -73.06 -51.03 19.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.493 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.8 mtpt -51.08 -36.09 38.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' A' ' 7' ' ' ARG . 23.6 mt-10 -66.74 -43.95 82.8 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.18 -44.37 95.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.932 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.624 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.7 mp -66.28 -38.56 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.86 -50.36 32.5 Favored Glycine 0 CA--C 1.52 0.368 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -62.47 -57.19 12.11 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.891 ' O ' HG23 ' A' ' 20' ' ' ILE . 46.4 mt-10 -56.84 -51.2 69.94 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.745 ' O ' HG12 ' A' ' 21' ' ' VAL . 77.9 t80 -46.53 -48.75 19.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.135 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -63.5 -20.84 65.93 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.982 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -96.16 -31.55 12.92 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.962 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.891 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -78.54 -47.72 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.636 -179.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 17' ' ' PHE . 7.4 p -105.03 55.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -63.15 88.54 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.52 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 1' ' ' LEU . 10.5 mp . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.683 ' O ' ' N ' ' A' ' 5' ' ' PHE . 10.6 tp -62.26 -46.27 89.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.3 0.571 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.37 -34.86 0.04 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 -178.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' LEU . 57.7 m-20 -72.26 -41.23 66.99 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.683 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -53.7 -48.74 69.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.739 179.084 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.546 ' CE1' ' NZ ' ' A' ' 10' ' ' LYS . 2.0 m-85 -65.67 -43.12 90.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.541 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -50.46 -31.03 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -75.27 -48.22 24.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.676 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.5 m -70.12 -51.58 30.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.322 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.546 ' NZ ' ' CE1' ' A' ' 6' ' ' PHE . 7.6 mptt -51.66 -39.7 58.65 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -54.8 -52.53 62.39 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 48.2 tttp -54.08 -45.12 71.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.837 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.1 mp -67.94 -37.27 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -50.21 -47.37 42.32 Favored Glycine 0 CA--C 1.517 0.198 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -65.0 -57.34 8.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -59.32 -44.69 92.56 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.25 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.847 ' CE2' HG11 ' A' ' 21' ' ' VAL . 56.2 t80 -56.49 -47.19 79.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.287 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' O ' ' CG ' ' A' ' 22' ' ' GLN . 8.6 tptt -51.24 -56.62 11.98 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.631 -0.428 . . . . 0.0 109.933 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.676 ' CG ' HH11 ' A' ' 19' ' ' ARG . 2.5 mtt-85 -62.36 -17.32 58.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.436 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -21.65 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.562 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.847 HG11 ' CE2' ' A' ' 17' ' ' PHE . 7.6 p -132.63 28.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.324 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' O ' ' C ' ' A' ' 23' ' ' ARG . 1.1 pp0? -156.96 15.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.155 0.503 . . . . 0.0 110.724 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.515 ' C ' ' O ' ' A' ' 22' ' ' GLN . 13.7 ptt180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.355 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.587 HD22 ' N ' ' A' ' 1' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.717 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.8 tp -58.55 -47.12 85.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.227 0.537 . . . . 0.0 111.095 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.2 -34.92 0.04 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -178.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 2' ' ' LEU . 22.0 t70 -69.23 -39.54 78.47 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.717 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -56.9 -46.26 82.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.931 179.132 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 m-85 -60.57 -42.65 97.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.731 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -51.73 -49.37 62.67 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.73 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -69.87 -36.64 75.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.503 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.507 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -74.73 -51.2 14.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.882 0.372 . . . . 0.0 110.766 179.626 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.548 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.1 mmmt -51.78 -35.95 45.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -53.08 20.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -59.29 -47.88 83.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.94 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.4 mp -65.87 -37.21 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.721 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -49.17 -50.04 29.29 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HD3' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -74.4 -33.11 62.93 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.453 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.54 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 3.9 tt0 -76.09 -44.05 40.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.839 0.352 . . . . 0.0 111.008 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.501 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -72.33 -23.38 61.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.301 -178.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -72.67 -45.17 60.24 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.506 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' HB3' ' HE ' ' A' ' 19' ' ' ARG . 17.0 mtp180 -72.78 -49.72 28.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.676 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 21' ' ' VAL . 4.5 tt -54.15 -39.99 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.519 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 97.6 t -91.84 84.21 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.898 0.38 . . . . 0.0 110.122 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.442 ' O ' ' OXT' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -82.08 82.93 7.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.333 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' OXT' ' O ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.831 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.725 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.7 tp -64.85 -46.99 79.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.3 0.571 . . . . 0.0 110.972 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.6 -35.08 0.05 OUTLIER Glycine 0 CA--C 1.528 0.864 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 2' ' ' LEU . 5.4 m-20 -69.84 -36.11 75.3 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -59.84 -51.06 71.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.182 179.366 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.595 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.3 m-85 -55.87 -49.13 74.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.034 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -50.95 -45.25 60.64 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.051 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -71.29 -37.8 71.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.212 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 5' ' ' PHE . 1.3 m -73.44 -51.18 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.686 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 14' ' ' GLY . 18.7 mttt -51.41 -39.26 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -64.06 -50.94 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -62.56 -47.81 82.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.254 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.68 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.8 mp -68.01 -37.58 78.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -49.72 -48.28 36.68 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -69.07 -57.29 5.63 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.612 -0.435 . . . . 0.0 109.865 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' ILE . 95.9 mt-10 -56.61 -43.62 80.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.837 179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.68 ' N ' ' O ' ' A' ' 13' ' ' ILE . 84.2 t80 -51.27 -41.27 60.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -66.27 -41.62 89.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.797 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 19' ' ' ARG . 6.4 ptp180 -87.97 -49.36 7.12 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.137 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.1 tt -54.95 -36.4 38.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.181 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -89.28 22.0 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.589 -179.64 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.584 ' C ' ' O ' ' A' ' 21' ' ' VAL . 1.6 pt20 -5.52 73.9 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.817 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 21' ' ' VAL . 9.1 ptm180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.606 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 1' ' ' LEU . 9.0 mp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.673 ' O ' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -51.68 -56.16 15.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.432 0.634 . . . . 0.0 110.886 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -35.26 -35.13 0.06 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 2' ' ' LEU . 9.2 t70 -59.28 -42.66 91.77 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -57.72 -49.91 74.97 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.261 178.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.683 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.2 m-85 -54.93 -47.37 74.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.614 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -50.86 -40.48 56.36 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.211 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -69.93 -44.6 69.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.982 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -50.13 50.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.624 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 14' ' ' GLY . 2.9 mptp? -50.73 -38.81 49.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -60.18 -53.38 58.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.76 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -58.99 -46.01 89.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.911 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.648 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.6 mp -66.99 -34.61 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 10' ' ' LYS . . . -50.04 -48.09 39.44 Favored Glycine 0 CA--C 1.519 0.314 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -56.03 12.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 80.2 mt-10 -59.69 -42.72 93.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.94 ' O ' HG12 ' A' ' 21' ' ' VAL . 53.0 t80 -55.97 -46.38 78.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.583 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -53.02 -47.33 68.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.169 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.615 HH11 ' HG3' ' A' ' 19' ' ' ARG . 2.1 ptm180 -76.09 -24.05 54.99 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.815 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -31.32 12.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.52 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.94 HG12 ' O ' ' A' ' 17' ' ' PHE . 13.6 p -116.66 65.56 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.87 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 23' ' ' ARG . 33.9 mt-30 -76.04 80.05 2.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.695 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' GLN . 37.1 mtp180 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.587 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.477 ' O ' ' OD2' ' A' ' 4' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.648 ' O ' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -38.59 -53.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.565 0.698 . . . . 0.0 111.26 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.85 -35.11 0.05 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.669 -0.973 . . . . 0.0 110.669 -178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -60.15 -44.97 94.56 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.417 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -53.63 -50.88 64.77 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.046 178.759 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 1.6 m-85 -55.7 -42.72 75.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.166 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -51.14 -38.76 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -71.83 -43.06 66.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.984 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 m -70.64 -50.6 35.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -40.53 56.16 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.33 -53.34 59.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.858 179.318 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.9 mtmt -54.1 -47.87 71.31 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.632 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -62.12 -31.19 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.01 -44.98 83.2 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -71.85 -41.63 67.88 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.658 -179.519 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.935 ' O ' HG23 ' A' ' 20' ' ' ILE . 74.8 mt-10 -71.58 -50.33 32.04 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.698 ' O ' HG12 ' A' ' 21' ' ' VAL . 53.3 t80 -45.99 -47.51 16.71 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.258 178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -19.49 64.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -92.1 -21.44 20.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.27 179.284 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -96.87 -45.23 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.107 0 CA-C-O 120.994 0.426 . . . . 0.0 110.439 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 17' ' ' PHE . 3.0 p -82.09 35.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.758 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -43.04 89.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.717 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' A' ' 21' ' ' VAL . 3.2 ppt_? . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.455 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 1' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.741 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.8 tp -77.15 -47.6 19.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.261 0.553 . . . . 0.0 111.278 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.53 -35.01 0.05 OUTLIER Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 2' ' ' LEU . 17.1 m-20 -70.53 -34.27 72.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.018 0.437 . . . . 0.0 109.866 178.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.741 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -61.88 -49.63 75.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.345 179.496 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.3 m-85 -58.06 -52.92 63.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.377 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 8' ' ' LYS . 5.2 ptt180 -51.54 -40.43 59.65 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.983 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' N ' ' HG2' ' A' ' 7' ' ' ARG . 17.2 tttp -74.06 -39.96 63.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.909 179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -73.55 -51.61 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.558 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 6' ' ' PHE . 50.0 mttt -51.06 -39.72 56.64 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' A' ' 7' ' ' ARG . 29.2 mt-10 -67.3 -43.87 80.62 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.2 tptt -55.51 -44.72 76.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.733 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.5 mp -58.44 -51.98 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.72 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -47.39 -33.85 8.54 Favored Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -68.21 -57.64 5.69 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.02 -0.672 . . . . 0.0 109.607 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.884 ' O ' HG23 ' A' ' 20' ' ' ILE . 9.9 pt-20 -67.14 -50.66 60.49 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 119.968 -0.693 . . . . 0.0 109.242 178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.829 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -47.73 -30.97 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.106 179.357 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -72.84 -31.78 65.01 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.164 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.675 ' CG ' HH11 ' A' ' 19' ' ' ARG . 2.0 mtt-85 -88.97 -24.23 22.46 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.935 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -82.54 -47.53 18.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.707 -179.459 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.829 HG12 ' O ' ' A' ' 17' ' ' PHE . 4.5 p -87.12 51.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.949 0.404 . . . . 0.0 111.002 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.464 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 5.4 mt-30 -63.28 69.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 21' ' ' VAL . 34.7 mtt180 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.436 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 1' ' ' LEU . 10.3 mp . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.681 ' O ' ' N ' ' A' ' 5' ' ' PHE . 11.6 tp -38.82 -46.04 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.233 0.539 . . . . 0.0 111.471 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.06 -34.71 0.04 OUTLIER Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.548 ' OD1' ' N ' ' A' ' 5' ' ' PHE . 9.2 p-10 -69.25 -41.23 77.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.073 0.463 . . . . 0.0 109.775 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.681 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -54.62 -50.89 67.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.201 179.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.574 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 4.6 m-85 -57.67 -48.11 80.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.961 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.678 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.1 mtt-85 -50.83 -38.94 51.91 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.514 -0.474 . . . . 0.0 109.912 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -70.9 -44.9 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.011 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -72.31 -51.59 20.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 6' ' ' PHE . 34.5 mtmt -51.05 -32.95 23.41 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.02 -43.42 78.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -61.38 -41.08 96.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.837 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.684 ' O ' ' N ' ' A' ' 17' ' ' PHE . 2.0 mp -67.81 -37.6 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.31 -51.76 30.26 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -63.12 -57.09 11.73 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -59.61 -43.83 93.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.978 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.684 ' N ' ' O ' ' A' ' 13' ' ' ILE . 72.0 t80 -57.53 -34.17 68.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.876 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -72.24 -59.12 2.89 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.278 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 20' ' ' ILE . 20.1 ptt180 -58.52 -49.35 77.69 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.616 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.536 ' CG2' HG23 ' A' ' 21' ' ' VAL . 5.1 tt -58.65 -42.05 83.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.297 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.632 ' O ' ' N ' ' A' ' 23' ' ' ARG . 43.3 t -99.81 70.4 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.473 ' O ' ' C ' ' A' ' 23' ' ' ARG . 2.5 pt20 -39.08 83.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.632 ' N ' ' O ' ' A' ' 21' ' ' VAL . 50.8 mtp180 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.886 -1.054 . . . . 0.0 111.299 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 41.1 mt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.696 ' O ' ' N ' ' A' ' 5' ' ' PHE . 8.0 tp -62.11 -47.91 82.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 111.257 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -33.98 -34.86 0.04 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -178.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 2' ' ' LEU . 49.7 t0 -68.62 -41.9 78.86 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.696 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.1 OUTLIER -53.93 -49.58 68.36 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.902 179.16 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.641 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.7 m-85 -57.14 -44.39 83.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.792 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.413 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -51.0 -46.26 61.42 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.94 -179.54 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 12.7 tmtt? -72.48 -38.61 68.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.172 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -73.0 -50.36 23.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.607 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.641 ' N ' ' O ' ' A' ' 6' ' ' PHE . 5.0 mtmp? -51.52 -38.64 55.08 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.47 -53.54 55.13 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' OE2' ' A' ' 16' ' ' GLU . 27.7 mmtm -55.89 -48.74 75.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.742 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' PHE . 1.4 mp -61.78 -32.65 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.82 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 18' ' ' LYS . . . -50.64 -55.53 16.95 Favored Glycine 0 C--O 1.227 -0.33 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' CE ' ' N ' ' A' ' 15' ' ' LYS . 4.1 mmpt? -53.72 -54.16 41.94 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.18 -0.51 . . . . 0.0 110.625 178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.937 ' O ' HG23 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -63.37 -51.86 64.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.939 -179.755 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.745 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -67.05 -20.32 65.82 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.206 -179.487 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 14' ' ' GLY . 27.9 tptt -73.35 -27.56 61.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.025 178.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.669 ' CG ' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -95.04 -17.03 22.24 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.244 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.937 HG23 ' O ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -90.16 -44.59 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 C-N-CA 120.304 -0.558 . . . . 0.0 109.77 178.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.745 HG12 ' O ' ' A' ' 17' ' ' PHE . 3.0 p -80.91 28.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.732 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -49.16 87.51 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.734 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.659 ' CG ' HH11 ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.499 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.443 ' O ' ' OD1' ' A' ' 4' ' ' ASP . 14.6 mt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 5' ' ' PHE . 12.0 tp -101.08 -46.11 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.332 0.587 . . . . 0.0 111.186 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 2' ' ' LEU . . . -34.07 -34.91 0.04 OUTLIER Glycine 0 CA--C 1.526 0.779 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.161 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 2' ' ' LEU . 8.7 p-10 -68.92 -41.28 78.39 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.68 ' N ' ' O ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -54.74 -48.86 72.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.935 179.177 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' O ' ' N ' ' A' ' 10' ' ' LYS . 4.8 m-85 -62.11 -39.75 93.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.846 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -51.02 -46.6 61.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 8' ' ' LYS . 9.6 mtpm? -69.15 -42.78 75.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.927 0.394 . . . . 0.0 110.197 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 t -70.27 -50.59 37.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.816 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.535 ' N ' ' O ' ' A' ' 6' ' ' PHE . 13.9 mtmt -50.88 -36.72 39.47 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -61.95 -53.4 56.2 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -53.79 -45.9 70.87 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.718 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.664 ' O ' ' N ' ' A' ' 17' ' ' PHE . 1.5 mp -64.2 -35.34 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -50.13 -44.41 42.59 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.291 -1.123 . . . . 0.0 110.291 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -67.83 -57.21 6.67 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.14 -43.43 95.7 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.801 ' O ' HG12 ' A' ' 21' ' ' VAL . 60.8 t80 -52.79 -40.64 63.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.686 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -58.6 -46.5 86.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.131 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.641 ' HG3' HH11 ' A' ' 19' ' ' ARG . 0.0 OUTLIER -75.67 -25.81 57.1 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.461 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.41 -35.84 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.448 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 17' ' ' PHE . 8.7 p -96.65 54.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.594 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 6.8 mt-30 -68.23 43.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.653 ' CB ' HH11 ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.624 -179.959 . . . . . . . . 2 2 . 1 stop_ save_