data_2ket_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 2ket _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 ' 4' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.381 0.61 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -60.62 -37.89 82.93 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.366 -0.834 . . . . 0.0 109.377 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -59.53 -37.25 77.87 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.58 -0.7 . . . . 0.0 109.935 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.82 -44.93 96.26 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.43 -0.794 . . . . 0.0 109.75 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -37.75 78.66 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.533 -0.729 . . . . 0.0 109.949 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 21.6 tttt -65.39 -48.45 72.85 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.447 -0.783 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -36.29 81.09 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.294 -0.879 . . . . 0.0 109.832 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 11' ' ' LYS . 1.2 tppp? -59.95 -35.36 74.78 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.431 -0.793 . . . . 0.0 110.057 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HG2' ' CD2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -58.57 -36.2 73.56 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.289 -0.882 . . . . 0.0 109.668 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.52 ' CD2' ' HG2' ' A' ' 12' ' ' LYS . 5.4 mt -69.78 -43.68 71.67 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.357 -0.839 . . . . 0.0 109.036 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -58.2 -39.13 78.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 110.034 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -59.63 -43.53 93.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.417 -0.802 . . . . 0.0 109.765 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.557 0 O-C-N 121.496 -0.753 . . . . 0.0 110.104 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 mttp . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 121.643 0.735 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -31.68 68.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.574 -0.704 . . . . 0.0 110.053 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.73 -45.46 92.11 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.315 -0.866 . . . . 0.0 109.565 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -60.05 -38.81 83.88 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.488 -0.757 . . . . 0.0 109.651 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -39.64 83.9 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.493 -0.755 . . . . 0.0 109.813 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -50.0 71.86 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.479 -0.763 . . . . 0.0 109.687 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -37.95 73.6 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.496 -0.752 . . . . 0.0 109.079 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -62.67 -44.16 96.96 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.552 -0.718 . . . . 0.0 109.775 179.505 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -58.37 -46.92 85.38 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.404 -0.81 . . . . 0.0 109.357 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.93 -50.44 68.68 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.05 -34.96 74.11 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.597 -0.689 . . . . 0.0 109.547 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 7.8 mtmt -65.85 -48.42 71.68 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.354 -0.841 . . . . 0.0 109.941 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.496 0 O-C-N 121.372 -0.83 . . . . 0.0 109.801 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 121.319 0.58 . . . . 0.0 109.854 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -56.1 -21.59 23.12 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.379 -0.826 . . . . 0.0 109.31 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.48 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 2.1 t80 -64.67 -43.4 93.7 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.343 0.592 . . . . 0.0 110.309 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -62.39 -48.34 80.15 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.239 -0.913 . . . . 0.0 109.491 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -38.23 72.47 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.533 -0.73 . . . . 0.0 109.476 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -59.15 -47.38 85.52 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.557 0.694 . . . . 0.0 109.49 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -38.41 75.88 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.621 0.724 . . . . 0.0 109.315 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 12' ' ' LYS . 6.3 tptm -62.28 -51.7 66.64 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 24.0 mttt -63.27 -43.08 98.96 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.476 -0.765 . . . . 0.0 109.455 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 HD11 ' NZ ' ' A' ' 16' ' ' LYS . 32.4 tp -60.25 -36.22 77.27 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.543 -0.723 . . . . 0.0 110.116 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -37.78 82.36 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.285 -0.884 . . . . 0.0 110.189 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.46 -50.98 40.44 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.225 -0.922 . . . . 0.0 109.757 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' NZ ' HD11 ' A' ' 13' ' ' LEU . 2.2 ttpm? . . . . . 0 C--N 1.299 -1.599 0 O-C-N 121.378 -0.826 . . . . 0.0 109.511 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mptt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.348 0.594 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -59.35 -32.32 70.0 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.43 -0.794 . . . . 0.0 110.15 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -41.64 68.26 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.103 -0.998 . . . . 0.0 108.821 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.4 ttp180 -62.42 -40.89 98.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.554 -0.716 . . . . 0.0 109.362 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -64.16 -47.73 78.76 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.487 -0.758 . . . . 0.0 109.541 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -32.85 67.81 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.455 -0.778 . . . . 0.0 109.93 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 2.0 t80 -58.03 -40.48 80.99 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.364 -0.835 . . . . 0.0 109.312 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.23 -51.27 66.9 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.314 -0.866 . . . . 0.0 109.042 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 16.3 mmtm -61.06 -45.36 95.09 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.564 -0.71 . . . . 0.0 109.308 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.5 tp -61.58 -38.67 88.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.569 -0.707 . . . . 0.0 109.448 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -56.34 -31.68 63.97 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.564 -0.71 . . . . 0.0 109.777 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 6.2 tptp -70.0 -60.6 2.2 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.285 -0.884 . . . . 0.0 109.267 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm . . . . . 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.459 0.647 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -41.57 92.82 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.5 -0.75 . . . . 0.0 109.986 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -57.68 -31.78 66.69 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.427 -0.796 . . . . 0.0 110.092 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -62.72 -50.27 71.76 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.338 -0.851 . . . . 0.0 109.345 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 16.0 mtpt -63.26 -47.82 80.78 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.399 -0.813 . . . . 0.0 109.336 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 mmtp -57.85 -32.32 67.53 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.562 -0.711 . . . . 0.0 109.551 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.472 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 2.7 t80 -59.01 -33.01 70.24 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.48 -0.763 . . . . 0.0 110.109 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -47.37 84.42 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.329 -0.857 . . . . 0.0 109.778 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -29.17 64.48 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.461 -0.774 . . . . 0.0 109.805 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' HG ' ' HA ' ' A' ' 10' ' ' PHE . 3.6 mt -66.76 -42.79 85.55 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.394 -0.816 . . . . 0.0 109.181 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.91 -39.26 53.96 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.63 0.728 . . . . 0.0 109.204 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -47.71 76.05 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.331 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp . . . . . 0 C--N 1.302 -1.468 0 O-C-N 121.406 -0.809 . . . . 0.0 109.512 179.346 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.437 0.637 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.2 tpt85 -54.57 -26.03 29.77 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.509 -0.745 . . . . 0.0 109.666 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -58.94 -44.81 91.45 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.437 -0.79 . . . . 0.0 109.097 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -52.9 56.3 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -29.14 61.49 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.483 0.658 . . . . 0.0 109.541 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -44.05 97.65 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.313 -0.867 . . . . 0.0 109.93 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -53.67 -40.58 66.04 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.39 -0.819 . . . . 0.0 108.914 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.0 -48.08 80.36 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.517 0.675 . . . . 0.0 109.359 179.264 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -65.04 -43.61 91.8 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.336 -0.853 . . . . 0.0 109.009 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.49 -35.61 70.43 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.596 -0.69 . . . . 0.0 109.551 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.468 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 3.5 t80 -58.31 -40.51 82.21 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.401 -0.812 . . . . 0.0 109.916 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -36.59 78.81 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.356 -0.84 . . . . 0.0 109.885 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.406 0 O-C-N 121.5 -0.75 . . . . 0.0 110.133 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.432 0.634 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -59.46 -32.7 70.47 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.41 -0.806 . . . . 0.0 109.826 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 3.3 m-30 -56.38 -40.28 74.33 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.198 -0.939 . . . . 0.0 109.342 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 7' ' ' ARG . 9.2 tpp180 -64.9 -54.14 35.53 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -23.19 31.49 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 1.4 tttt -61.34 -46.87 88.42 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.634 -0.666 . . . . 0.0 109.487 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.73 -39.8 65.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.241 -0.912 . . . . 0.0 108.756 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -53.94 -36.49 62.86 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 5.5 tttt -61.24 -37.41 82.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.651 -0.656 . . . . 0.0 109.76 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.539 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -54.05 -37.04 63.72 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.325 -0.859 . . . . 0.0 109.183 179.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.539 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.24 -46.47 90.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.408 -0.807 . . . . 0.0 108.977 179.243 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -69.59 -38.31 77.29 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 18.8 mmtt . . . . . 0 C--N 1.302 -1.481 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.8 mttp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.356 0.598 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -28.58 69.97 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.478 -0.764 . . . . 0.0 109.979 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.463 ' O ' ' HG2' ' A' ' 9' ' ' LYS . 15.5 m-85 -59.38 -43.69 92.85 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.259 -0.9 . . . . 0.0 109.424 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.0 mmt180 -63.79 -51.19 65.92 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.588 -0.845 . . . . 0.0 108.908 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 24.4 mmtm -55.97 -17.93 7.95 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.371 -0.831 . . . . 0.0 109.502 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HG2' ' N ' ' A' ' 10' ' ' PHE . 3.3 pttt -68.46 -44.36 75.0 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.347 -0.846 . . . . 0.0 110.119 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -64.07 -27.83 69.37 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.136 -0.977 . . . . 0.0 109.14 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 17.5 mttp -64.79 -48.48 74.3 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.465 -0.772 . . . . 0.0 109.935 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -34.49 70.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.449 -0.782 . . . . 0.0 109.937 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.526 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -59.81 -36.07 76.01 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.303 -0.873 . . . . 0.0 109.656 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.526 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 11.8 m-85 -67.34 -51.17 55.64 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.277 -0.889 . . . . 0.0 109.761 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -57.2 -30.54 64.62 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.499 -0.751 . . . . 0.0 109.761 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE2' ' HA ' ' A' ' 13' ' ' LEU . 1.4 mtmt . . . . . 0 C--N 1.302 -1.483 0 O-C-N 121.379 -0.825 . . . . 0.0 109.957 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mttt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.409 0.623 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -39.12 82.59 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.308 -0.87 . . . . 0.0 110.196 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -64.61 -52.28 58.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.413 -0.804 . . . . 0.0 109.45 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 2.9 tpp180 -58.82 -28.11 65.72 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.564 -0.71 . . . . 0.0 109.35 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -64.59 -47.39 78.84 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.25 -0.906 . . . . 0.0 110.07 179.725 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -34.96 64.65 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.317 -0.865 . . . . 0.0 109.784 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.492 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -55.65 -38.69 69.9 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.471 -0.768 . . . . 0.0 109.356 179.553 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' CG ' ' N ' ' A' ' 12' ' ' LYS . 22.5 pttt -60.0 -42.31 93.99 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.385 -0.822 . . . . 0.0 109.47 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.96 -41.97 90.51 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.25 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -58.43 -46.27 86.84 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.12 -37.4 77.12 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.8 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -32.04 73.39 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.202 -0.937 . . . . 0.0 109.583 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.307 -1.271 0 O-C-N 121.358 -0.839 . . . . 0.0 108.745 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 121.394 0.616 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -58.6 -43.41 89.55 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.253 -0.904 . . . . 0.0 109.604 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -52.34 61.6 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.606 0.717 . . . . 0.0 109.357 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.31 -32.87 71.63 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 1.5 tppp? -59.09 -37.57 77.43 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.477 -0.764 . . . . 0.0 109.413 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -65.19 -38.4 90.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -66.22 -48.81 69.38 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.636 -0.665 . . . . 0.0 109.635 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.519 ' HG3' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -60.61 -26.67 67.18 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.299 -0.875 . . . . 0.0 109.443 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.519 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -66.76 -32.69 74.15 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.506 -0.746 . . . . 0.0 109.807 179.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 3.7 mt -65.6 -46.2 80.28 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.812 0.815 . . . . 0.0 109.231 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -41.96 67.25 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.662 0.744 . . . . 0.0 109.534 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -43.47 98.82 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.487 0.66 . . . . 0.0 110.171 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.301 -1.516 0 O-C-N 121.552 -0.717 . . . . 0.0 110.743 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttm . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 121.58 0.705 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 6' ' ' PHE . 4.8 ptm180 -60.62 -35.43 76.14 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.466 -0.771 . . . . 0.0 109.801 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.431 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 80.1 t80 -63.82 -47.54 80.42 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.449 -0.782 . . . . 0.0 109.812 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.82 -39.92 86.7 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.451 -0.781 . . . . 0.0 109.695 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -43.3 98.66 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.484 -0.76 . . . . 0.0 109.809 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -61.07 -47.17 87.55 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.434 -0.792 . . . . 0.0 109.24 179.533 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.482 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -64.73 -47.51 78.03 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.467 -0.771 . . . . 0.0 109.232 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -22.83 56.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.414 -0.804 . . . . 0.0 109.342 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -63.48 -44.08 95.44 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.437 -0.789 . . . . 0.0 110.208 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.519 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 1.3 pp -68.62 -30.36 69.06 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.129 -0.982 . . . . 0.0 109.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.519 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -73.32 -36.52 66.24 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.313 -0.867 . . . . 0.0 109.169 179.117 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -40.12 88.31 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.588 -0.695 . . . . 0.0 109.778 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.377 0 O-C-N 121.333 -0.854 . . . . 0.0 108.869 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 tptm . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 121.349 0.595 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.56 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -63.37 -23.37 67.38 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.262 -0.899 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.56 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -66.74 -53.09 37.0 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.135 -0.978 . . . . 0.0 109.506 179.549 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -58.52 -34.88 71.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.35 -0.844 . . . . 0.0 109.256 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -33.8 70.13 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.575 -0.703 . . . . 0.0 109.959 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 1.3 tptt -60.54 -51.8 67.89 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.298 -0.876 . . . . 0.0 108.955 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.558 ' CD1' HD23 ' A' ' 13' ' ' LEU . 12.8 t80 -59.97 -26.53 66.08 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -24.35 66.71 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.47 -0.769 . . . . 0.0 109.518 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -63.61 -49.95 71.3 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.477 -0.764 . . . . 0.0 110.097 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 10' ' ' PHE . 1.7 pp -57.04 -29.05 63.07 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.43 -0.794 . . . . 0.0 109.879 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -75.0 -42.5 57.35 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.358 -0.839 . . . . 0.0 109.226 179.369 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 1.4 tptp -60.73 -34.63 74.7 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.558 -0.714 . . . . 0.0 109.757 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.328 0 O-C-N 121.306 -0.871 . . . . 0.0 109.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 121.405 0.621 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -29.39 19.47 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.279 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.471 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 3.3 t80 -56.73 -40.41 75.69 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.57 -0.706 . . . . 0.0 109.403 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -64.55 -44.87 89.42 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.507 -0.746 . . . . 0.0 109.566 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -33.43 72.78 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.46 -0.775 . . . . 0.0 109.61 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -57.94 -45.18 87.0 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.357 -0.84 . . . . 0.0 109.287 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.9 t80 -58.2 -36.13 72.64 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.507 -0.745 . . . . 0.0 109.341 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -68.37 -17.85 64.34 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.2 -52.48 22.96 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.725 -0.609 . . . . 0.0 110.302 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 10' ' ' PHE . 2.6 pp -56.73 -26.99 58.43 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.63 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.431 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 1.1 t80 -71.31 -56.16 6.56 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.4 -0.813 . . . . 0.0 109.84 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.27 -23.02 67.24 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.483 -0.761 . . . . 0.0 109.9 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.305 0 O-C-N 121.282 -0.886 . . . . 0.0 110.246 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 tttt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 121.571 0.701 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -51.95 44.8 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.386 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.29 -30.08 62.03 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.55 -0.719 . . . . 0.0 109.481 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -57.79 -41.06 81.3 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.444 -0.785 . . . . 0.0 109.53 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -66.04 -53.88 32.91 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.474 -0.766 . . . . 0.0 109.093 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -57.34 -35.27 69.69 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.627 -0.671 . . . . 0.0 109.537 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -61.74 -43.71 98.33 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.482 -0.762 . . . . 0.0 109.682 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -63.43 -48.62 77.02 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.32 -0.862 . . . . 0.0 109.396 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.88 -40.98 90.54 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.636 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.67 -45.62 91.97 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.417 -0.802 . . . . 0.0 109.725 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.19 -42.15 89.26 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.475 -0.766 . . . . 0.0 109.532 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -62.96 -36.84 84.81 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.495 -0.753 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tttm . . . . . 0 C--N 1.306 -1.307 0 O-C-N 121.191 -0.943 . . . . 0.0 110.113 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.237 0.541 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 ttp85 -62.88 -49.48 74.68 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.285 -0.884 . . . . 0.0 110.068 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -57.32 -35.58 70.04 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.641 -0.662 . . . . 0.0 109.824 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -58.78 -39.51 81.25 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.516 -0.74 . . . . 0.0 109.845 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -57.34 -41.62 80.41 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.351 -0.843 . . . . 0.0 109.404 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 13' ' ' LEU . 1.2 ttmm -56.66 -30.57 63.52 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.667 -0.646 . . . . 0.0 109.828 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.463 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 40.5 t80 -59.5 -51.28 70.53 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.284 -0.885 . . . . 0.0 108.739 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -65.41 -46.76 78.74 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.9 mptp? -61.54 -35.42 77.7 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.548 -0.72 . . . . 0.0 109.084 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 8.2 tp -56.16 -38.18 70.55 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.368 -0.833 . . . . 0.0 108.935 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -40.04 94.66 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.413 -0.804 . . . . 0.0 109.347 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 12.3 mttt -57.47 -30.58 65.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.428 -0.795 . . . . 0.0 109.808 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.445 0 O-C-N 121.12 -0.988 . . . . 0.0 109.594 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.7 mttt . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -55.54 -31.28 61.99 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.636 -0.665 . . . . 0.0 110.054 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.492 ' CG ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -57.18 -48.18 79.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.264 -0.897 . . . . 0.0 109.057 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.492 ' N ' ' CG ' ' A' ' 6' ' ' PHE . 53.9 ttt-85 -62.39 -43.25 99.26 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.619 -0.675 . . . . 0.0 109.612 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -28.66 64.45 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.458 -0.776 . . . . 0.0 109.664 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -54.55 20.65 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.244 -0.91 . . . . 0.0 109.655 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 4.2 m-30 -58.95 -39.66 82.34 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.448 -0.782 . . . . 0.0 109.009 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -50.48 68.65 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.459 -0.776 . . . . 0.0 109.075 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.77 -38.41 72.44 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.614 0.721 . . . . 0.0 109.224 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 10' ' ' PHE . 11.9 tp -56.69 -40.91 76.41 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -71.26 -42.15 69.16 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.54 -34.22 75.17 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.386 -0.821 . . . . 0.0 109.421 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.304 -1.375 0 O-C-N 121.305 -0.872 . . . . 0.0 108.705 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 121.449 0.642 . . . . 0.0 109.663 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -66.23 -48.71 69.68 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.397 -0.814 . . . . 0.0 110.206 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -58.84 -34.0 71.06 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.419 -0.801 . . . . 0.0 110.025 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.37 -42.6 99.53 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.436 -0.79 . . . . 0.0 110.237 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.68 94.64 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 109.862 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -61.46 -37.91 85.32 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.405 -0.809 . . . . 0.0 110.251 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -59.29 -34.6 72.48 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.305 -0.872 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -46.22 91.44 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.158 -0.964 . . . . 0.0 109.858 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -58.01 -35.3 71.06 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.468 -0.77 . . . . 0.0 109.841 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -30.67 69.24 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.516 -0.74 . . . . 0.0 110.152 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -67.06 -49.06 66.35 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.148 -0.97 . . . . 0.0 110.255 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -39.73 76.89 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 109.464 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.489 0 O-C-N 121.472 -0.767 . . . . 0.0 109.385 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.404 0.621 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -35.0 70.77 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 110.105 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.45 -36.14 73.23 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.4 -0.812 . . . . 0.0 110.265 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -63.61 -52.73 59.61 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.202 -0.937 . . . . 0.0 109.343 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.96 -43.28 99.17 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.505 -0.747 . . . . 0.0 109.001 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -58.69 -26.61 64.03 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.585 -0.697 . . . . 0.0 109.624 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -63.42 -47.4 82.09 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.426 -0.797 . . . . 0.0 110.037 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -60.39 -44.64 95.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.465 -0.772 . . . . 0.0 109.474 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -39.51 83.03 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.542 -0.724 . . . . 0.0 109.866 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.583 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -60.08 -35.46 75.22 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.414 -0.804 . . . . 0.0 110.144 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.583 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 2.3 m-85 -69.51 -31.94 70.49 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.235 -0.916 . . . . 0.0 109.332 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -49.67 67.02 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.562 -0.711 . . . . 0.0 109.749 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tttt . . . . . 0 C--N 1.301 -1.531 0 O-C-N 121.403 -0.811 . . . . 0.0 109.415 179.546 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -56.44 -35.06 67.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.577 -0.702 . . . . 0.0 109.366 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.01 -41.69 83.63 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.487 -0.758 . . . . 0.0 109.431 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -62.52 -48.52 79.2 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.41 -43.39 98.95 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.531 -0.73 . . . . 0.0 109.253 179.06 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -62.49 -46.0 90.45 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.498 -0.751 . . . . 0.0 109.367 179.342 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.54 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 81.1 t80 -64.74 -43.75 92.35 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.41 -0.807 . . . . 0.0 109.253 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.5 tptp -60.33 -23.93 64.62 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.245 -0.909 . . . . 0.0 109.365 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 82.3 tttt -69.43 -56.13 8.32 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.395 -0.815 . . . . 0.0 109.799 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.54 ' CD2' ' HA ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -67.85 -34.08 76.02 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.985 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -67.51 -27.99 67.45 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.379 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -60.0 -42.28 93.92 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? . . . . . 0 C--N 1.302 -1.479 0 O-C-N 121.285 -0.885 . . . . 0.0 109.209 179.463 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 121.486 0.66 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.09 78.47 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.409 -0.807 . . . . 0.0 109.459 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -60.0 -44.19 94.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.574 -0.704 . . . . 0.0 109.518 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.44 -23.55 10.33 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.266 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -59.36 -46.83 87.55 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.328 -0.857 . . . . 0.0 109.375 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -60.68 -36.18 78.11 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.539 -0.725 . . . . 0.0 109.354 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -55.23 -45.46 76.0 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.368 -0.833 . . . . 0.0 108.763 179.187 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -61.55 -45.3 94.73 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.754 0.788 . . . . 0.0 109.02 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -38.85 75.34 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.6 -0.687 . . . . 0.0 109.371 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -51.78 -41.4 61.62 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.301 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -64.63 -51.25 63.59 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -59.45 -34.96 73.17 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.569 0.7 . . . . 0.0 109.735 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.304 -1.406 0 O-C-N 121.38 -0.825 . . . . 0.0 110.154 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.455 ' N ' ' CD ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -139.6 -104.62 0.16 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.227 -1.161 . . . . 0.0 110.226 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.499 ' CE1' ' HG2' ' A' ' 4' ' ' LYS . 6.2 p90 -57.05 -28.2 62.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.798 -1.189 . . . . 0.0 110.174 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' HG2' ' CE1' ' A' ' 3' ' ' PHE . 19.9 mmmt -68.04 -53.8 23.09 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.238 -0.914 . . . . 0.0 109.775 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -60.62 -37.89 82.93 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.366 -0.834 . . . . 0.0 109.377 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -59.53 -37.25 77.87 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.58 -0.7 . . . . 0.0 109.935 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.82 -44.93 96.26 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.43 -0.794 . . . . 0.0 109.75 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -37.75 78.66 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.533 -0.729 . . . . 0.0 109.949 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 21.6 tttt -65.39 -48.45 72.85 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.447 -0.783 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -36.29 81.09 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.294 -0.879 . . . . 0.0 109.832 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 11' ' ' LYS . 1.2 tppp? -59.95 -35.36 74.78 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.431 -0.793 . . . . 0.0 110.057 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.52 ' HG2' ' CD2' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -58.57 -36.2 73.56 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.289 -0.882 . . . . 0.0 109.668 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.52 ' CD2' ' HG2' ' A' ' 12' ' ' LYS . 5.4 mt -69.78 -43.68 71.67 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.357 -0.839 . . . . 0.0 109.036 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -58.2 -39.13 78.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 110.034 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -59.63 -43.53 93.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.417 -0.802 . . . . 0.0 109.765 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -29.82 62.72 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.496 -0.753 . . . . 0.0 110.104 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.95 -40.9 97.5 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.47 -0.769 . . . . 0.0 110.929 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.04 143.09 73.38 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.237 -0.915 . . . . 0.0 110.406 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' VAL . 48.1 Cg_endo -74.8 57.24 4.37 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.97 1.511 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' PRO . 13.7 t 43.67 45.26 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.236 -0.915 . . . . 0.0 109.854 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.502 HG21 ' O ' ' A' ' 21' ' ' ILE . 3.9 tp -121.0 104.41 41.52 Favored Pre-proline 0 N--CA 1.488 1.468 0 O-C-N 121.345 -0.847 . . . . 0.0 109.778 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 42.7 Cg_endo -69.71 -7.66 21.62 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 O-C-N 123.908 1.478 . . . . 0.0 110.037 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 -52.03 10.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.356 -0.84 . . . . 0.0 109.752 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -28.2 67.5 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.598 -0.689 . . . . 0.0 110.296 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -83.12 -34.27 26.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 110.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 6.5 mp -89.05 -46.07 9.14 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.303 -0.873 . . . . 0.0 110.181 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.505 ' O ' ' HB3' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.505 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 2.8 tpt180 68.65 2.04 3.27 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.441 -1.035 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.55 ' CE1' ' HD2' ' A' ' 4' ' ' LYS . 12.4 p90 -73.03 -27.4 61.74 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.979 -1.076 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.55 ' HD2' ' CE1' ' A' ' 3' ' ' PHE . 2.4 mttp -54.54 -40.01 68.24 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.29 -0.881 . . . . 0.0 109.55 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -31.68 68.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.574 -0.704 . . . . 0.0 110.053 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.73 -45.46 92.11 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.315 -0.866 . . . . 0.0 109.565 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -60.05 -38.81 83.88 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.488 -0.757 . . . . 0.0 109.651 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -39.64 83.9 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.493 -0.755 . . . . 0.0 109.813 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -50.0 71.86 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.479 -0.763 . . . . 0.0 109.687 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -37.95 73.6 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.496 -0.752 . . . . 0.0 109.079 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -62.67 -44.16 96.96 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.552 -0.718 . . . . 0.0 109.775 179.505 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -58.37 -46.92 85.38 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.404 -0.81 . . . . 0.0 109.357 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.93 -50.44 68.68 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 18' ' ' SER . 2.1 m-85 -60.05 -34.96 74.11 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.597 -0.689 . . . . 0.0 109.547 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 7.8 mtmt -65.85 -48.42 71.68 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.354 -0.841 . . . . 0.0 109.941 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -35.61 80.25 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.372 -0.83 . . . . 0.0 109.801 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.547 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -85.96 -34.79 20.76 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.56 -0.712 . . . . 0.0 111.122 -179.505 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' PHE . 29.2 p -92.37 96.05 1.17 Allowed Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.317 -0.865 . . . . 0.0 111.198 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HD3' ' O ' ' A' ' 17' ' ' LEU . 44.1 Cg_endo -66.74 84.81 0.3 Allowed 'Trans proline' 0 C--N 1.309 -1.513 0 O-C-N 123.697 1.367 . . . . 0.0 111.887 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.598 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 26.3 t 35.07 72.16 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.641 -0.662 . . . . 0.0 111.819 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.598 ' HB ' ' O ' ' A' ' 20' ' ' VAL . 6.7 mm 75.7 78.22 0.17 Allowed Pre-proline 0 N--CA 1.502 2.127 0 O-C-N 122.073 -0.392 . . . . 0.0 111.909 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.512 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 47.5 Cg_endo -85.05 -15.25 5.68 Favored 'Trans proline' 0 C--N 1.303 -1.857 0 O-C-N 124.001 1.527 . . . . 0.0 109.95 178.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -56.77 -70.71 0.11 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 110.713 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -19.55 5.39 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.342 -0.849 . . . . 0.0 110.182 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -85.7 -18.77 32.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.352 -0.843 . . . . 0.0 109.654 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 23' ' ' LEU . 3.9 mt -73.57 145.36 45.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.393 -0.817 . . . . 0.0 110.083 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.789 -1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.525 ' HG3' ' N ' ' A' ' 3' ' ' PHE . 17.6 tpt180 -147.52 -86.75 0.09 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.232 -1.158 . . . . 0.0 110.441 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 3' ' ' PHE . 12.2 p90 -77.92 -25.33 48.33 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.332 -0.855 . . . . 0.0 110.607 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.483 ' N ' ' CD1' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -66.68 -51.72 52.92 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.283 -0.886 . . . . 0.0 109.854 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -56.1 -21.59 23.12 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.379 -0.826 . . . . 0.0 109.31 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.48 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 2.1 t80 -64.67 -43.4 93.7 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.343 0.592 . . . . 0.0 110.309 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -62.39 -48.34 80.15 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.239 -0.913 . . . . 0.0 109.491 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -38.23 72.47 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.533 -0.73 . . . . 0.0 109.476 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -59.15 -47.38 85.52 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.557 0.694 . . . . 0.0 109.49 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -38.41 75.88 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.621 0.724 . . . . 0.0 109.315 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 12' ' ' LYS . 6.3 tptm -62.28 -51.7 66.64 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 24.0 mttt -63.27 -43.08 98.96 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.476 -0.765 . . . . 0.0 109.455 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 HD11 ' NZ ' ' A' ' 16' ' ' LYS . 32.4 tp -60.25 -36.22 77.27 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.543 -0.723 . . . . 0.0 110.116 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -37.78 82.36 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.285 -0.884 . . . . 0.0 110.189 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.46 -50.98 40.44 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.225 -0.922 . . . . 0.0 109.757 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' NZ ' HD11 ' A' ' 13' ' ' LEU . 2.2 ttpm? -56.16 -27.06 52.84 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.378 -0.826 . . . . 0.0 109.511 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.559 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 11.0 tp -60.06 -48.08 83.21 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.317 -0.865 . . . . 0.0 110.583 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.71 80.69 0.13 Allowed Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.513 -0.742 . . . . 0.0 111.943 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.559 ' CD ' ' O ' ' A' ' 17' ' ' LEU . 47.1 Cg_endo -68.41 -46.47 2.0 Allowed 'Trans proline' 0 C--N 1.312 -1.365 0 N-CA-C 109.324 -1.068 . . . . 0.0 109.324 178.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.538 ' HB ' ' O ' ' A' ' 19' ' ' PRO . 7.0 p 170.4 -26.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 21' ' ' ILE . 1.2 tp -150.42 70.05 8.93 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.555 -0.716 . . . . 0.0 109.985 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -77.97 -7.73 16.45 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 O-C-N 124.027 1.541 . . . . 0.0 110.956 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.62 -15.13 50.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.033 -1.042 . . . . 0.0 110.362 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 tp -69.16 -45.31 70.35 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.106 -0.996 . . . . 0.0 110.579 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -20.17 60.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.375 -0.828 . . . . 0.0 110.2 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.88 149.39 25.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.225 -0.922 . . . . 0.0 110.221 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -85.64 -52.43 5.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.256 -1.144 . . . . 0.0 110.213 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.481 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 36.4 m-85 -60.53 -42.22 96.06 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.347 -0.845 . . . . 0.0 109.857 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -56.3 -29.29 61.04 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.301 -0.874 . . . . 0.0 109.751 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -59.35 -32.32 70.0 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.43 -0.794 . . . . 0.0 110.15 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER -54.03 -41.64 68.26 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.103 -0.998 . . . . 0.0 108.821 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.4 ttp180 -62.42 -40.89 98.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.554 -0.716 . . . . 0.0 109.362 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -64.16 -47.73 78.76 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.487 -0.758 . . . . 0.0 109.541 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -32.85 67.81 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.455 -0.778 . . . . 0.0 109.93 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 2.0 t80 -58.03 -40.48 80.99 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.364 -0.835 . . . . 0.0 109.312 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.23 -51.27 66.9 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.314 -0.866 . . . . 0.0 109.042 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 16.3 mmtm -61.06 -45.36 95.09 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.564 -0.71 . . . . 0.0 109.308 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 26.5 tp -61.58 -38.67 88.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.569 -0.707 . . . . 0.0 109.448 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -56.34 -31.68 63.97 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.564 -0.71 . . . . 0.0 109.777 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 6.2 tptp -70.0 -60.6 2.2 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.285 -0.884 . . . . 0.0 109.267 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -60.99 -22.56 64.63 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.559 ' HG ' ' CG1' ' A' ' 20' ' ' VAL . 15.9 tp -90.69 2.11 56.24 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.67 -0.644 . . . . 0.0 110.663 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.602 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 33.5 t -60.97 -35.98 29.85 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.391 -0.818 . . . . 0.0 112.106 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 18' ' ' SER . 40.9 Cg_endo -71.19 6.37 1.83 Allowed 'Trans proline' 0 C--N 1.313 -1.293 0 O-C-N 122.756 0.872 . . . . 0.0 111.077 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.593 ' O ' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -38.25 -45.28 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.25 -0.906 . . . . 0.0 110.015 179.076 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.593 ' O ' ' O ' ' A' ' 20' ' ' VAL . 6.8 tp 31.92 108.39 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.676 0 CA-C-O 121.435 0.636 . . . . 0.0 111.598 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.09 -2.08 6.3 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 O-C-N 123.485 1.255 . . . . 0.0 110.258 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.451 ' HB2' HG13 ' A' ' 21' ' ' ILE . 4.1 mm? -88.11 -13.58 40.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.201 -0.937 . . . . 0.0 110.115 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.67 -46.8 80.88 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.271 -0.893 . . . . 0.0 110.462 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.57 -27.1 29.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 0.0 110.572 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -81.91 156.72 24.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 110.279 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -39.13 -77.5 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.961 . . . . 0.0 110.708 -179.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -23.45 43.37 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 110.285 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -50.67 -31.46 16.38 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.342 -0.849 . . . . 0.0 109.835 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -41.57 92.82 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.5 -0.75 . . . . 0.0 109.986 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -57.68 -31.78 66.69 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.427 -0.796 . . . . 0.0 110.092 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -62.72 -50.27 71.76 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.338 -0.851 . . . . 0.0 109.345 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 16.0 mtpt -63.26 -47.82 80.78 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.399 -0.813 . . . . 0.0 109.336 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 mmtp -57.85 -32.32 67.53 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.562 -0.711 . . . . 0.0 109.551 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.472 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 2.7 t80 -59.01 -33.01 70.24 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.48 -0.763 . . . . 0.0 110.109 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -47.37 84.42 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.329 -0.857 . . . . 0.0 109.778 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -29.17 64.48 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.461 -0.774 . . . . 0.0 109.805 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' HG ' ' HA ' ' A' ' 10' ' ' PHE . 3.6 mt -66.76 -42.79 85.55 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.394 -0.816 . . . . 0.0 109.181 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.91 -39.26 53.96 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.63 0.728 . . . . 0.0 109.204 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' O ' ' OG ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -65.17 -47.71 76.05 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.331 179.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -61.72 -31.96 72.16 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.406 -0.809 . . . . 0.0 109.512 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -48.66 67.31 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.598 -0.689 . . . . 0.0 110.597 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.506 ' HB2' ' HB ' ' A' ' 21' ' ' ILE . 40.6 p -51.11 111.26 2.2 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 0.0 109.667 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 46.1 Cg_endo -71.7 116.62 4.77 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.936 1.493 . . . . 0.0 111.511 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 19' ' ' PRO . 32.9 m 35.5 45.87 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.688 -0.632 . . . . 0.0 111.35 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -77.97 -37.15 1.46 Allowed Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.228 -0.92 . . . . 0.0 110.704 179.233 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 48.0 Cg_endo -78.79 -21.91 9.37 Favored 'Trans proline' 0 C--N 1.316 -1.146 0 O-C-N 123.344 1.181 . . . . 0.0 110.346 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 23' ' ' LEU . 3.3 tm? -65.03 -27.81 69.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.95 . . . . 0.0 110.182 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -26.62 64.78 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.333 -0.854 . . . . 0.0 110.359 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.13 -40.05 68.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.0 110.401 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -70.33 0.46 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.32 -0.863 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.17 7.42 35.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.263 -1.14 . . . . 0.0 110.186 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -58.41 -15.21 9.81 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.258 -0.901 . . . . 0.0 110.303 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -74.0 -50.18 21.02 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.291 -0.881 . . . . 0.0 109.829 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.2 tpt85 -54.57 -26.03 29.77 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.509 -0.745 . . . . 0.0 109.666 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 3.7 m-30 -58.94 -44.81 91.45 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.437 -0.79 . . . . 0.0 109.097 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -52.9 56.3 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -29.14 61.49 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.483 0.658 . . . . 0.0 109.541 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -44.05 97.65 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.313 -0.867 . . . . 0.0 109.93 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -53.67 -40.58 66.04 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.39 -0.819 . . . . 0.0 108.914 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.0 -48.08 80.36 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.517 0.675 . . . . 0.0 109.359 179.264 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -65.04 -43.61 91.8 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.336 -0.853 . . . . 0.0 109.009 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.49 -35.61 70.43 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.596 -0.69 . . . . 0.0 109.551 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' ' OG ' ' A' ' 18' ' ' SER . 3.5 t80 -58.31 -40.51 82.21 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.401 -0.812 . . . . 0.0 109.916 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -36.59 78.81 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.356 -0.84 . . . . 0.0 109.885 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -51.76 51.69 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.5 -0.75 . . . . 0.0 110.133 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -83.35 -9.91 58.78 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.521 -0.737 . . . . 0.0 109.961 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.561 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -51.16 106.51 0.66 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.189 -0.945 . . . . 0.0 110.6 -179.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 17' ' ' LEU . 44.4 Cg_endo -76.55 -42.51 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 O-C-N 123.964 1.507 . . . . 0.0 109.487 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 19' ' ' PRO . 1.9 t -149.61 20.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.653 -0.654 . . . . 0.0 109.858 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.48 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 3.3 mp 58.56 56.2 6.02 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 121.429 -0.795 . . . . 0.0 111.384 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 21' ' ' ILE . 53.4 Cg_endo -80.63 -1.05 11.05 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 123.902 1.475 . . . . 0.0 110.165 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -79.52 -38.46 34.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.0 110.545 -179.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.96 -18.47 5.08 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.315 -0.865 . . . . 0.0 110.129 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' NH2 . 29.3 m80 -88.74 -18.31 28.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.457 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.29 81.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.128 -0.983 . . . . 0.0 110.072 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.3 -24.4 13.89 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -1.209 . . . . 0.0 110.383 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -49.75 -36.56 26.25 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.06 -1.025 . . . . 0.0 109.352 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.11 -25.75 23.7 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.631 -0.668 . . . . 0.0 109.572 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -59.46 -32.7 70.47 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.41 -0.806 . . . . 0.0 109.826 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 3.3 m-30 -56.38 -40.28 74.33 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.198 -0.939 . . . . 0.0 109.342 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 7' ' ' ARG . 9.2 tpp180 -64.9 -54.14 35.53 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -23.19 31.49 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 1.4 tttt -61.34 -46.87 88.42 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.634 -0.666 . . . . 0.0 109.487 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.73 -39.8 65.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.241 -0.912 . . . . 0.0 108.756 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -53.94 -36.49 62.86 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 5.5 tttt -61.24 -37.41 82.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.651 -0.656 . . . . 0.0 109.76 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.539 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -54.05 -37.04 63.72 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.325 -0.859 . . . . 0.0 109.183 179.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.539 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.24 -46.47 90.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.408 -0.807 . . . . 0.0 108.977 179.243 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 2.3 mptp? -69.59 -38.31 77.29 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 18.8 mmtt -54.98 -32.02 61.33 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -49.54 -31.03 9.48 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.232 179.628 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.599 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -64.15 -66.53 1.43 Allowed Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 120.986 -1.071 . . . . 0.0 109.123 179.137 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 18' ' ' SER . 52.7 Cg_endo -76.22 129.34 11.2 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 O-C-N 123.442 1.233 . . . . 0.0 109.884 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.535 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 2.6 t 77.57 -21.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 121.449 -0.782 . . . . 0.0 111.483 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.544 ' O ' ' CG2' ' A' ' 21' ' ' ILE . 9.2 tt 27.75 66.43 0.59 Allowed Pre-proline 0 N--CA 1.498 1.926 0 O-C-N 121.656 -0.652 . . . . 0.0 111.606 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 17' ' ' LEU . 41.7 Cg_endo -70.77 -9.24 25.36 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 O-C-N 123.835 1.439 . . . . 0.0 109.697 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -60.26 3.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.4 -0.812 . . . . 0.0 109.312 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -29.61 62.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.451 -0.781 . . . . 0.0 109.757 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -30.64 61.1 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.433 -0.792 . . . . 0.0 109.861 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.28 23.36 2.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.306 -0.871 . . . . 0.0 109.995 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.916 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.412 ' O ' ' HD2' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 3.4 mmm180 -62.64 -82.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -1.182 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.498 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -55.6 -31.1 61.96 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.386 -0.821 . . . . 0.0 109.981 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -53.51 -30.71 42.69 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.236 -0.915 . . . . 0.0 109.431 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -63.79 -28.58 69.97 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.478 -0.764 . . . . 0.0 109.979 179.687 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 15.5 m-85 -59.38 -43.69 92.85 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.259 -0.9 . . . . 0.0 109.424 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.0 mmt180 -63.79 -51.19 65.92 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.588 -0.845 . . . . 0.0 108.908 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 24.4 mmtm -55.97 -17.93 7.95 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.371 -0.831 . . . . 0.0 109.502 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.494 ' HG2' ' N ' ' A' ' 10' ' ' PHE . 3.3 pttt -68.46 -44.36 75.0 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.347 -0.846 . . . . 0.0 110.119 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -64.07 -27.83 69.37 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.136 -0.977 . . . . 0.0 109.14 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 17.5 mttp -64.79 -48.48 74.3 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.465 -0.772 . . . . 0.0 109.935 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -34.49 70.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.449 -0.782 . . . . 0.0 109.937 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.526 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -59.81 -36.07 76.01 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.303 -0.873 . . . . 0.0 109.656 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.526 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 11.8 m-85 -67.34 -51.17 55.64 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.277 -0.889 . . . . 0.0 109.761 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.513 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 6.8 ttmm -57.2 -30.54 64.62 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.499 -0.751 . . . . 0.0 109.761 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE2' ' HA ' ' A' ' 13' ' ' LEU . 1.4 mtmt -62.27 -46.29 89.48 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.379 -0.825 . . . . 0.0 109.957 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 51.3 tp -84.19 -2.26 56.57 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.491 -0.756 . . . . 0.0 110.728 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.517 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -65.87 -57.56 13.49 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.103 -0.998 . . . . 0.0 110.158 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' A' ' 20' ' ' VAL . 47.3 Cg_endo -71.95 80.01 1.57 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 O-C-N 123.92 1.484 . . . . 0.0 110.254 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.566 ' CB ' ' O ' ' A' ' 19' ' ' PRO . 1.2 t 165.41 -6.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.571 -0.706 . . . . 0.0 111.525 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -70.3 -32.31 2.69 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 120.538 -1.351 . . . . 0.0 112.434 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 45.5 Cg_endo -74.71 8.63 2.23 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 O-C-N 122.823 0.907 . . . . 0.0 112.002 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.59 -23.95 34.15 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.655 -1.278 . . . . 0.0 110.118 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.04 -35.6 71.54 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.373 -0.83 . . . . 0.0 110.607 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -69.38 -55.1 11.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.29 -0.881 . . . . 0.0 110.523 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.93 170.47 14.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.292 -0.88 . . . . 0.0 110.532 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.91 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 -100.56 -20.21 15.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.17 -1.194 . . . . 0.0 109.95 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -59.97 -17.1 35.62 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.354 -0.841 . . . . 0.0 110.61 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -54.91 -27.99 47.33 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.18 -0.95 . . . . 0.0 110.233 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -39.12 82.59 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.308 -0.87 . . . . 0.0 110.196 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -64.61 -52.28 58.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.413 -0.804 . . . . 0.0 109.45 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 2.9 tpp180 -58.82 -28.11 65.72 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.564 -0.71 . . . . 0.0 109.35 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -64.59 -47.39 78.84 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.25 -0.906 . . . . 0.0 110.07 179.725 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -34.96 64.65 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.317 -0.865 . . . . 0.0 109.784 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.492 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -55.65 -38.69 69.9 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.471 -0.768 . . . . 0.0 109.356 179.553 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' CG ' ' N ' ' A' ' 12' ' ' LYS . 22.5 pttt -60.0 -42.31 93.99 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.385 -0.822 . . . . 0.0 109.47 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.96 -41.97 90.51 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.25 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -58.43 -46.27 86.84 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.506 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 11.8 t80 -59.12 -37.4 77.12 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.8 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -32.04 73.39 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.202 -0.937 . . . . 0.0 109.583 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.03 -41.82 68.46 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.358 -0.839 . . . . 0.0 108.745 179.422 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 14' ' ' PHE . 2.2 mm? -46.03 -61.07 1.91 Allowed 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.437 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 m -44.55 130.8 4.91 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.602 -0.686 . . . . 0.0 109.818 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.49 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 51.5 Cg_endo -81.43 33.26 0.52 Allowed 'Trans proline' 0 C--N 1.308 -1.584 0 O-C-N 123.889 1.468 . . . . 0.0 111.52 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' A' ' 21' ' ' ILE . 2.8 t 69.15 40.9 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.087 -1.008 . . . . 0.0 110.448 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.508 HG21 ' O ' ' A' ' 21' ' ' ILE . 1.4 tt 30.15 59.73 0.91 Allowed Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 121.843 -0.536 . . . . 0.0 111.524 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 48.0 Cg_endo -78.54 -1.55 11.7 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 123.862 1.453 . . . . 0.0 110.488 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.6 -54.63 9.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.96 . . . . 0.0 110.235 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -24.95 18.26 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.294 -0.879 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -86.92 -40.52 14.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.363 -0.835 . . . . 0.0 110.266 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.91 -72.0 0.5 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.327 -0.858 . . . . 0.0 110.146 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -92.44 -1.24 57.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.266 -1.138 . . . . 0.0 110.115 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.23 -29.14 60.59 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.297 -0.877 . . . . 0.0 110.177 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -61.86 -39.36 91.59 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.429 -0.795 . . . . 0.0 110.401 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -58.6 -43.41 89.55 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.253 -0.904 . . . . 0.0 109.604 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -52.34 61.6 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.606 0.717 . . . . 0.0 109.357 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.31 -32.87 71.63 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 1.5 tppp? -59.09 -37.57 77.43 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.477 -0.764 . . . . 0.0 109.413 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -65.19 -38.4 90.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -66.22 -48.81 69.38 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.636 -0.665 . . . . 0.0 109.635 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.519 ' HG3' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -60.61 -26.67 67.18 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.299 -0.875 . . . . 0.0 109.443 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.519 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -66.76 -32.69 74.15 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.506 -0.746 . . . . 0.0 109.807 179.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 3.7 mt -65.6 -46.2 80.28 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.812 0.815 . . . . 0.0 109.231 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -41.96 67.25 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.662 0.744 . . . . 0.0 109.534 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' A' ' 18' ' ' SER . 1.0 OUTLIER -61.46 -43.47 98.82 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.487 0.66 . . . . 0.0 110.171 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -37.57 87.58 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.552 -0.717 . . . . 0.0 110.743 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' SER . 12.7 tp -89.21 -1.73 58.2 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.21 -0.931 . . . . 0.0 110.838 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.454 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -41.63 130.12 2.36 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.348 -0.845 . . . . 0.0 110.05 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' O ' ' HD3' ' A' ' 22' ' ' PRO . 47.0 Cg_endo -72.0 -26.79 18.08 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 O-C-N 124.012 1.532 . . . . 0.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.0 t -47.87 -35.31 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.228 -0.92 . . . . 0.0 110.088 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.07 86.58 5.61 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.236 -0.915 . . . . 0.0 110.04 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 47.4 Cg_endo -74.61 -5.73 17.28 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 O-C-N 124.016 1.535 . . . . 0.0 110.245 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -76.91 -18.69 58.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 110.149 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -69.92 -30.85 68.36 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.165 -0.96 . . . . 0.0 110.501 -179.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 27' ' ' NH2 . 1.1 t60 -89.52 1.57 55.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.212 -0.93 . . . . 0.0 110.464 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -48.16 90.91 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.12 -0.988 . . . . 0.0 110.136 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . 0.511 ' N ' ' O ' ' A' ' 25' ' ' HIS . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -140.06 -38.08 0.46 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.199 -1.177 . . . . 0.0 110.482 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 3' ' ' PHE . 3.3 p90 -84.8 -21.99 29.71 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.24 -0.912 . . . . 0.0 110.155 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -56.98 -42.25 79.89 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.28 -0.888 . . . . 0.0 109.716 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 6' ' ' PHE . 4.8 ptm180 -60.62 -35.43 76.14 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.466 -0.771 . . . . 0.0 109.801 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.431 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 80.1 t80 -63.82 -47.54 80.42 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.449 -0.782 . . . . 0.0 109.812 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.82 -39.92 86.7 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.451 -0.781 . . . . 0.0 109.695 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -43.3 98.66 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.484 -0.76 . . . . 0.0 109.809 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -61.07 -47.17 87.55 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.434 -0.792 . . . . 0.0 109.24 179.533 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.482 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -64.73 -47.51 78.03 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.467 -0.771 . . . . 0.0 109.232 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -22.83 56.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.414 -0.804 . . . . 0.0 109.342 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -63.48 -44.08 95.44 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.437 -0.789 . . . . 0.0 110.208 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.519 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 1.3 pp -68.62 -30.36 69.06 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.129 -0.982 . . . . 0.0 109.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -73.32 -36.52 66.24 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.313 -0.867 . . . . 0.0 109.169 179.117 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -40.12 88.31 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.588 -0.695 . . . . 0.0 109.778 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -53.43 -36.86 62.01 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.333 -0.854 . . . . 0.0 108.869 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.579 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -60.52 -65.68 0.65 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.51 0.672 . . . . 0.0 109.193 178.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.86 72.78 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 122.016 -0.428 . . . . 0.0 111.195 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.579 ' CD ' ' O ' ' A' ' 17' ' ' LEU . 47.1 Cg_endo -69.64 -93.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.515 0 O-C-N 123.005 1.003 . . . . 0.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 6.7 p -139.44 35.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.256 -0.902 . . . . 0.0 110.353 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.561 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 2.8 mp 56.71 46.14 2.07 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 0.0 111.173 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.561 ' HD3' ' N ' ' A' ' 21' ' ' ILE . 51.0 Cg_endo -77.64 -19.38 12.9 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 O-C-N 123.555 1.292 . . . . 0.0 110.156 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -51.25 62.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.395 -0.816 . . . . 0.0 110.306 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.42 -22.21 4.48 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.991 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -81.81 -28.28 33.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.36 -0.837 . . . . 0.0 110.212 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 26' ' ' LEU . 1.6 mm? -90.31 -53.16 4.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 110.246 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.912 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.83 -72.72 0.57 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.19 -1.182 . . . . 0.0 110.296 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -50.35 -21.38 1.39 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.0 109.9 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -55.73 -26.62 46.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.454 -0.779 . . . . 0.0 109.952 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.56 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -63.37 -23.37 67.38 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.262 -0.899 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.56 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -66.74 -53.09 37.0 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.135 -0.978 . . . . 0.0 109.506 179.549 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -58.52 -34.88 71.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.35 -0.844 . . . . 0.0 109.256 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -33.8 70.13 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.575 -0.703 . . . . 0.0 109.959 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 1.3 tptt -60.54 -51.8 67.89 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.298 -0.876 . . . . 0.0 108.955 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.558 ' CD1' HD23 ' A' ' 13' ' ' LEU . 12.8 t80 -59.97 -26.53 66.08 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -24.35 66.71 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.47 -0.769 . . . . 0.0 109.518 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -63.61 -49.95 71.3 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.477 -0.764 . . . . 0.0 110.097 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 10' ' ' PHE . 1.7 pp -57.04 -29.05 63.07 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.43 -0.794 . . . . 0.0 109.879 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -75.0 -42.5 57.35 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.358 -0.839 . . . . 0.0 109.226 179.369 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 1.4 tptp -60.73 -34.63 74.7 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.558 -0.714 . . . . 0.0 109.757 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -41.31 93.49 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.306 -0.871 . . . . 0.0 109.869 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.59 -33.85 69.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.458 -0.776 . . . . 0.0 110.305 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.21 137.09 31.22 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.293 -0.88 . . . . 0.0 110.342 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -73.78 -87.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 123.995 1.524 . . . . 0.0 110.593 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' A' ' 21' ' ' ILE . 42.7 t -113.89 7.34 7.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.179 -0.95 . . . . 0.0 110.343 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.536 ' N ' ' HD3' ' A' ' 22' ' ' PRO . 3.7 tt 25.13 57.72 0.39 Allowed Pre-proline 0 N--CA 1.505 2.298 0 O-C-N 122.127 -0.358 . . . . 0.0 111.814 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.536 ' HD3' ' N ' ' A' ' 21' ' ' ILE . 54.1 Cg_endo -87.2 -2.03 7.85 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 O-C-N 123.897 1.472 . . . . 0.0 110.307 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.78 -13.97 60.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.25 -0.907 . . . . 0.0 110.909 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 tp -58.01 -44.07 87.04 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.036 -1.04 . . . . 0.0 109.583 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -90.51 -38.66 13.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.537 -0.727 . . . . 0.0 110.141 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.22 164.49 18.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.407 -0.808 . . . . 0.0 110.116 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 119.761 -1.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.06 -147.03 0.29 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.348 -1.089 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.01 -22.02 2.1 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.174 -0.954 . . . . 0.0 109.451 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -68.11 -50.99 51.37 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.404 -0.81 . . . . 0.0 109.73 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -29.39 19.47 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.279 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.471 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 3.3 t80 -56.73 -40.41 75.69 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.57 -0.706 . . . . 0.0 109.403 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -64.55 -44.87 89.42 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.507 -0.746 . . . . 0.0 109.566 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -33.43 72.78 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.46 -0.775 . . . . 0.0 109.61 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -57.94 -45.18 87.0 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.357 -0.84 . . . . 0.0 109.287 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.479 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.9 t80 -58.2 -36.13 72.64 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.507 -0.745 . . . . 0.0 109.341 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -68.37 -17.85 64.34 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.2 -52.48 22.96 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.725 -0.609 . . . . 0.0 110.302 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 10' ' ' PHE . 2.6 pp -56.73 -26.99 58.43 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.63 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.431 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 1.1 t80 -71.31 -56.16 6.56 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.4 -0.813 . . . . 0.0 109.84 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -63.27 -23.02 67.24 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.483 -0.761 . . . . 0.0 109.9 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -77.64 -35.96 52.0 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.282 -0.886 . . . . 0.0 110.246 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 20.2 mt -81.08 -17.4 50.18 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.429 -0.795 . . . . 0.0 110.727 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.556 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -63.67 -50.31 72.53 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.107 -0.996 . . . . 0.0 110.931 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 18' ' ' SER . 45.5 Cg_endo -73.03 -6.8 19.63 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 O-C-N 123.51 1.269 . . . . 0.0 111.047 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 17' ' ' LEU . 31.8 t -68.26 -3.83 2.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.061 -1.025 . . . . 0.0 110.53 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.552 ' O ' ' CG2' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -125.22 62.13 37.1 Favored Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 0.0 109.752 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 44.7 Cg_endo -71.31 -15.57 31.44 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 O-C-N 123.494 1.26 . . . . 0.0 110.089 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -21.28 3.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.413 -0.804 . . . . 0.0 109.761 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -35.79 71.97 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.47 -0.769 . . . . 0.0 109.942 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -90.5 -30.98 16.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.473 -0.767 . . . . 0.0 110.185 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.42 113.86 0.84 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.0 110.145 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.725 -1.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -23.95 67.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -1.143 . . . . 0.0 110.086 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -62.43 -10.44 11.55 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.279 -0.888 . . . . 0.0 110.029 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -47.64 -37.65 13.19 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.061 -1.024 . . . . 0.0 109.36 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -51.95 44.8 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.386 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.29 -30.08 62.03 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.55 -0.719 . . . . 0.0 109.481 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -57.79 -41.06 81.3 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.444 -0.785 . . . . 0.0 109.53 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -66.04 -53.88 32.91 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.474 -0.766 . . . . 0.0 109.093 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -57.34 -35.27 69.69 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.627 -0.671 . . . . 0.0 109.537 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -61.74 -43.71 98.33 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.482 -0.762 . . . . 0.0 109.682 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -63.43 -48.62 77.02 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.32 -0.862 . . . . 0.0 109.396 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.88 -40.98 90.54 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.636 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.67 -45.62 91.97 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.417 -0.802 . . . . 0.0 109.725 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.19 -42.15 89.26 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.475 -0.766 . . . . 0.0 109.532 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -62.96 -36.84 84.81 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.495 -0.753 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -65.34 -39.58 92.57 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.191 -0.943 . . . . 0.0 110.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -33.62 76.34 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.307 -0.871 . . . . 0.0 110.175 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.439 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 3.4 m -63.54 161.61 33.57 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.443 -0.786 . . . . 0.0 110.434 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' O ' HG13 ' A' ' 20' ' ' VAL . 43.7 Cg_endo -72.98 79.54 1.98 Allowed 'Trans proline' 0 C--N 1.303 -1.833 0 O-C-N 124.137 1.598 . . . . 0.0 110.657 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER 53.28 46.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 CA-C-O 121.752 0.786 . . . . 0.0 111.733 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.73 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -97.1 -4.52 0.11 Allowed Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 120.927 -1.108 . . . . 0.0 112.958 179.025 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.73 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 50.2 Cg_endo -78.48 2.19 8.34 Favored 'Trans proline' 0 N--CA 1.482 0.821 0 N-CA-C 110.146 -0.752 . . . . 0.0 110.146 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.8 mt -46.67 -35.81 6.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -0.943 . . . . 0.0 109.779 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 5.7 tt -54.67 -37.03 65.24 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.5 -0.75 . . . . 0.0 109.743 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -18.09 25.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.536 -0.727 . . . . 0.0 110.276 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.3 tp -88.02 -53.4 4.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -0.839 . . . . 0.0 110.364 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.52 -23.3 4.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -1.161 . . . . 0.0 110.454 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -59.39 -13.48 8.58 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.278 -0.888 . . . . 0.0 110.723 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -31.01 64.83 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.119 -0.988 . . . . 0.0 110.521 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 ttp85 -62.88 -49.48 74.68 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.285 -0.884 . . . . 0.0 110.068 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -57.32 -35.58 70.04 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.641 -0.662 . . . . 0.0 109.824 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -58.78 -39.51 81.25 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.516 -0.74 . . . . 0.0 109.845 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -57.34 -41.62 80.41 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.351 -0.843 . . . . 0.0 109.404 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 13' ' ' LEU . 1.2 ttmm -56.66 -30.57 63.52 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.667 -0.646 . . . . 0.0 109.828 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 40.5 t80 -59.5 -51.28 70.53 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.284 -0.885 . . . . 0.0 108.739 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -65.41 -46.76 78.74 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.9 mptp? -61.54 -35.42 77.7 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.548 -0.72 . . . . 0.0 109.084 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 8.2 tp -56.16 -38.18 70.55 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.368 -0.833 . . . . 0.0 108.935 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -40.04 94.66 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.413 -0.804 . . . . 0.0 109.347 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 18' ' ' SER . 12.3 mttt -57.47 -30.58 65.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.428 -0.795 . . . . 0.0 109.808 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.19 -44.17 97.19 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.12 -0.988 . . . . 0.0 109.594 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -74.62 -24.4 58.85 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.597 -0.689 . . . . 0.0 110.92 -179.831 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.499 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 6.4 m -43.5 167.91 0.07 OUTLIER Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.245 -0.909 . . . . 0.0 110.249 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.534 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 38.6 Cg_endo -65.26 60.05 0.34 Allowed 'Trans proline' 0 C--N 1.304 -1.816 0 O-C-N 124.075 1.566 . . . . 0.0 110.12 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 19' ' ' PRO . 3.6 m 39.81 24.36 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.647 -0.658 . . . . 0.0 111.268 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.689 ' O ' ' CG2' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -155.91 62.64 3.19 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 121.112 -0.993 . . . . 0.0 109.485 179.646 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.5 ' HD3' ' N ' ' A' ' 21' ' ' ILE . 48.8 Cg_endo -87.34 -17.51 2.88 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 121.022 1.148 . . . . 0.0 110.691 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 tp -75.78 -31.55 59.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.233 -0.917 . . . . 0.0 110.723 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' HB2' HG23 ' A' ' 21' ' ' ILE . 2.8 mm? -55.92 -24.76 39.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.289 -0.882 . . . . 0.0 110.451 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.73 -34.43 19.67 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.235 -0.915 . . . . 0.0 110.535 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 tt -89.69 -69.02 0.74 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.168 -0.957 . . . . 0.0 110.333 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.87 -1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -7.69 17.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.213 -1.169 . . . . 0.0 110.613 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -56.15 -30.49 62.24 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.207 -0.933 . . . . 0.0 110.221 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -47.6 -24.92 0.99 Allowed 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.292 -0.88 . . . . 0.0 109.012 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -55.54 -31.28 61.99 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.636 -0.665 . . . . 0.0 110.054 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.492 ' CG ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -57.18 -48.18 79.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.264 -0.897 . . . . 0.0 109.057 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' N ' ' CG ' ' A' ' 6' ' ' PHE . 53.9 ttt-85 -62.39 -43.25 99.26 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.619 -0.675 . . . . 0.0 109.612 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -28.66 64.45 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.458 -0.776 . . . . 0.0 109.664 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -54.55 20.65 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.244 -0.91 . . . . 0.0 109.655 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.455 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 4.2 m-30 -58.95 -39.66 82.34 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.448 -0.782 . . . . 0.0 109.009 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -50.48 68.65 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.459 -0.776 . . . . 0.0 109.075 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.77 -38.41 72.44 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.614 0.721 . . . . 0.0 109.224 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 10' ' ' PHE . 11.9 tp -56.69 -40.91 76.41 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 17.9 m-30 -71.26 -42.15 69.16 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.54 -34.22 75.17 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.386 -0.821 . . . . 0.0 109.421 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.99 -35.04 31.68 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.305 -0.872 . . . . 0.0 108.705 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.589 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 13.9 tp -50.11 -65.86 0.49 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.849 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t -95.48 85.99 0.31 Allowed Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 121.454 -0.779 . . . . 0.0 111.093 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' A' ' 17' ' ' LEU . 47.3 Cg_endo -69.29 -11.45 31.48 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 O-C-N 123.169 1.089 . . . . 0.0 110.857 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.601 ' O ' ' CB ' ' A' ' 21' ' ' ILE . 1.0 OUTLIER 167.65 -20.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.317 -0.865 . . . . 0.0 110.524 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.689 ' O ' ' CG2' ' A' ' 21' ' ' ILE . 0.4 OUTLIER 91.81 64.94 0.03 OUTLIER Pre-proline 0 N--CA 1.51 2.548 0 CA-C-O 122.277 1.036 . . . . 0.0 110.4 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.45 -17.19 30.59 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 121.107 1.205 . . . . 0.0 110.623 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -68.02 -9.4 45.48 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.191 -0.943 . . . . 0.0 109.889 179.782 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.44 -39.81 80.85 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.374 -0.829 . . . . 0.0 109.984 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.11 -36.37 14.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.46 -0.775 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 17.3 tp -61.41 102.75 0.25 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.277 -0.889 . . . . 0.0 110.29 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -92.01 13.64 18.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -1.161 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -63.69 -52.03 62.44 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.13 -0.982 . . . . 0.0 109.687 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -30.47 63.91 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.489 -0.757 . . . . 0.0 109.663 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -66.23 -48.71 69.68 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.397 -0.814 . . . . 0.0 110.206 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -58.84 -34.0 71.06 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.419 -0.801 . . . . 0.0 110.025 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.37 -42.6 99.53 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.436 -0.79 . . . . 0.0 110.237 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.68 94.64 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 109.862 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -61.46 -37.91 85.32 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.405 -0.809 . . . . 0.0 110.251 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -59.29 -34.6 72.48 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.305 -0.872 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -46.22 91.44 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.158 -0.964 . . . . 0.0 109.858 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -58.01 -35.3 71.06 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.468 -0.77 . . . . 0.0 109.841 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -30.67 69.24 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.516 -0.74 . . . . 0.0 110.152 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.487 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 15.4 m-85 -67.06 -49.06 66.35 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.148 -0.97 . . . . 0.0 110.255 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -39.73 76.89 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 109.464 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -26.35 14.52 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.472 -0.767 . . . . 0.0 109.385 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 53.7 tp -58.12 -51.41 69.84 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.483 -0.761 . . . . 0.0 111.291 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.81 110.75 41.9 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.241 -0.912 . . . . 0.0 110.821 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.517 ' O ' ' CG1' ' A' ' 20' ' ' VAL . 50.7 Cg_endo -85.61 -85.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.966 1.508 . . . . 0.0 110.255 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 19' ' ' PRO . 18.1 m -157.45 26.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.448 -0.782 . . . . 0.0 109.611 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.681 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -79.32 -26.99 0.49 Allowed Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.539 -0.725 . . . . 0.0 112.173 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 51.0 Cg_endo -79.89 -2.73 12.34 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 O-C-N 122.739 0.862 . . . . 0.0 110.804 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.52 -22.39 23.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.114 -0.991 . . . . 0.0 110.412 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.52 -34.84 76.21 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.204 -0.935 . . . . 0.0 110.432 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -44.06 10.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.261 -0.899 . . . . 0.0 110.463 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -155.33 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.332 -0.855 . . . . 0.0 110.326 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 ttp85 -125.76 -25.32 3.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -1.125 . . . . 0.0 110.342 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 1.2 m-85 -81.79 -31.79 31.65 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.309 -0.869 . . . . 0.0 110.336 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -37.05 75.64 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.369 -0.832 . . . . 0.0 110.432 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -35.0 70.77 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 110.105 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 3' ' ' PHE . 13.5 m-85 -58.45 -36.14 73.23 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.4 -0.812 . . . . 0.0 110.265 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -63.61 -52.73 59.61 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.202 -0.937 . . . . 0.0 109.343 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.96 -43.28 99.17 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.505 -0.747 . . . . 0.0 109.001 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -58.69 -26.61 64.03 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.585 -0.697 . . . . 0.0 109.624 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' HA ' HD22 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -63.42 -47.4 82.09 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.426 -0.797 . . . . 0.0 110.037 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -60.39 -44.64 95.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.465 -0.772 . . . . 0.0 109.474 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -39.51 83.03 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.542 -0.724 . . . . 0.0 109.866 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.583 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -60.08 -35.46 75.22 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.414 -0.804 . . . . 0.0 110.144 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.583 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 2.3 m-85 -69.51 -31.94 70.49 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.235 -0.916 . . . . 0.0 109.332 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 18' ' ' SER . 0.0 OUTLIER -65.97 -49.67 67.02 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.562 -0.711 . . . . 0.0 109.749 179.58 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 16.5 tttt -67.5 -39.41 85.18 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.403 -0.811 . . . . 0.0 109.415 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.519 ' HB3' HG23 ' A' ' 21' ' ' ILE . 17.9 mt -90.21 7.43 38.19 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.606 -0.684 . . . . 0.0 110.589 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.583 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -75.54 -42.94 4.08 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.342 -0.849 . . . . 0.0 111.935 -179.476 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 18' ' ' SER . 43.1 Cg_endo -73.15 94.03 0.82 Allowed 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.338 1.178 . . . . 0.0 111.955 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 19' ' ' PRO . 18.2 m 27.23 69.77 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 CA-C-O 121.22 0.534 . . . . 0.0 111.862 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.557 ' CG1' ' HD2' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -111.73 171.32 4.43 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.205 -0.934 . . . . 0.0 109.286 179.701 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.557 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 37.5 Cg_endo -62.32 -36.32 68.17 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.375 1.197 . . . . 0.0 111.489 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.532 ' HB3' ' CG2' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -44.89 -33.33 1.92 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.978 -1.076 . . . . 0.0 109.308 179.497 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.513 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.14 -32.44 68.16 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.51 -0.744 . . . . 0.0 110.11 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -61.46 -30.16 70.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.327 -0.858 . . . . 0.0 110.656 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.21 141.9 43.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.1 -1.0 . . . . 0.0 110.231 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.453 ' O ' ' HD3' ' A' ' 4' ' ' LYS . 1.4 mtt180 -95.82 -25.11 16.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.145 -1.209 . . . . 0.0 110.135 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -58.0 -18.42 23.91 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.25 -0.906 . . . . 0.0 109.989 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' HD3' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -50.91 -22.21 2.11 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.284 -0.885 . . . . 0.0 109.084 179.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -56.44 -35.06 67.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.577 -0.702 . . . . 0.0 109.366 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.01 -41.69 83.63 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.487 -0.758 . . . . 0.0 109.431 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -62.52 -48.52 79.2 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.438 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.41 -43.39 98.95 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.531 -0.73 . . . . 0.0 109.253 179.06 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -62.49 -46.0 90.45 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.498 -0.751 . . . . 0.0 109.367 179.342 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.54 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 81.1 t80 -64.74 -43.75 92.35 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.41 -0.807 . . . . 0.0 109.253 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.5 tptp -60.33 -23.93 64.62 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.245 -0.909 . . . . 0.0 109.365 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 82.3 tttt -69.43 -56.13 8.32 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.395 -0.815 . . . . 0.0 109.799 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' CD2' ' HA ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -67.85 -34.08 76.02 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.985 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -67.51 -27.99 67.45 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.379 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -60.0 -42.28 93.92 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -56.88 -42.66 80.22 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.285 -0.885 . . . . 0.0 109.209 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 17' ' ' LEU . 4.3 mm? -75.47 -55.12 5.99 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.858 0.837 . . . . 0.0 110.063 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.461 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 36.3 p -45.95 105.32 0.46 Allowed Pre-proline 0 N--CA 1.492 1.652 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.462 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 21' ' ' ILE . 49.8 Cg_endo -78.8 126.11 7.1 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 O-C-N 124.002 1.527 . . . . 0.0 110.345 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 19' ' ' PRO . 2.9 p 35.13 28.76 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.873 -0.517 . . . . 0.0 111.572 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -100.05 -36.93 0.23 Allowed Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.959 -1.088 . . . . 0.0 112.308 -179.273 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 48.9 Cg_endo -78.18 -10.6 16.38 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 O-C-N 122.95 0.974 . . . . 0.0 111.305 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.77 -25.49 0.51 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.001 -1.062 . . . . 0.0 110.518 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -26.33 57.56 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.12 -0.987 . . . . 0.0 111.045 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.61 -29.14 26.02 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.121 -0.987 . . . . 0.0 110.435 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mp -79.89 158.86 26.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.175 -0.953 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.427 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.27 11.34 21.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.333 -1.098 . . . . 0.0 110.094 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -22.85 45.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.347 -0.845 . . . . 0.0 110.128 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.01 -23.17 1.89 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.204 -0.935 . . . . 0.0 109.564 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.09 78.47 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.409 -0.807 . . . . 0.0 109.459 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -60.0 -44.19 94.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.574 -0.704 . . . . 0.0 109.518 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.44 -23.55 10.33 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.266 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -59.36 -46.83 87.55 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.328 -0.857 . . . . 0.0 109.375 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -60.68 -36.18 78.11 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.539 -0.725 . . . . 0.0 109.354 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -55.23 -45.46 76.0 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.368 -0.833 . . . . 0.0 108.763 179.187 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -61.55 -45.3 94.73 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.754 0.788 . . . . 0.0 109.02 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -38.85 75.34 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.6 -0.687 . . . . 0.0 109.371 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -51.78 -41.4 61.62 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.301 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -64.63 -51.25 63.59 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -59.45 -34.96 73.17 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.569 0.7 . . . . 0.0 109.735 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -43.26 99.02 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.38 -0.825 . . . . 0.0 110.154 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 12.8 tp -77.06 -29.79 55.26 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.417 -0.802 . . . . 0.0 110.358 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -41.77 100.54 0.22 Allowed Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.366 -0.834 . . . . 0.0 110.658 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 17' ' ' LEU . 48.1 Cg_endo -84.58 -160.55 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.025 1.539 . . . . 0.0 110.207 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.512 ' O ' HG22 ' A' ' 21' ' ' ILE . 6.9 p -76.15 51.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.202 -0.936 . . . . 0.0 110.38 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.512 HG22 ' O ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER 36.48 95.64 0.04 OUTLIER Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 121.593 -0.692 . . . . 0.0 110.863 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HD3' ' HG2' ' A' ' 19' ' ' PRO . 43.2 Cg_endo -70.96 -4.91 15.79 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 124.106 1.582 . . . . 0.0 109.092 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tp -77.98 -20.62 52.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.537 -0.727 . . . . 0.0 109.782 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -29.47 60.94 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.32 -0.862 . . . . 0.0 110.065 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -86.08 -47.83 9.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.387 -0.821 . . . . 0.0 109.751 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -178.94 3.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 0.0 110.306 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.883 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.381 0.61 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -60.62 -37.89 82.93 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.366 -0.834 . . . . 0.0 109.377 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -59.53 -37.25 77.87 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.58 -0.7 . . . . 0.0 109.935 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.82 -44.93 96.26 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.43 -0.794 . . . . 0.0 109.75 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -37.75 78.66 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.533 -0.729 . . . . 0.0 109.949 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 21.6 tttt -65.39 -48.45 72.85 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.447 -0.783 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -36.29 81.09 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.294 -0.879 . . . . 0.0 109.832 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 1.2 tppp? -59.95 -35.36 74.78 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.431 -0.793 . . . . 0.0 110.057 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.709 ' CG ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -58.57 -36.2 73.56 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.289 -0.882 . . . . 0.0 109.668 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.709 HD23 ' CG ' ' A' ' 12' ' ' LYS . 5.4 mt -69.78 -43.68 71.67 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.357 -0.839 . . . . 0.0 109.036 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -58.2 -39.13 78.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 110.034 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -59.63 -43.53 93.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.417 -0.802 . . . . 0.0 109.765 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.557 0 O-C-N 121.496 -0.753 . . . . 0.0 110.104 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 mttp . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 121.643 0.735 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -31.68 68.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.574 -0.704 . . . . 0.0 110.053 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.73 -45.46 92.11 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.315 -0.866 . . . . 0.0 109.565 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -60.05 -38.81 83.88 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.488 -0.757 . . . . 0.0 109.651 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -39.64 83.9 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.493 -0.755 . . . . 0.0 109.813 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -50.0 71.86 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.479 -0.763 . . . . 0.0 109.687 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -37.95 73.6 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.496 -0.752 . . . . 0.0 109.079 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -62.67 -44.16 96.96 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.552 -0.718 . . . . 0.0 109.775 179.505 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -58.37 -46.92 85.38 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.404 -0.81 . . . . 0.0 109.357 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.93 -50.44 68.68 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.05 -34.96 74.11 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.597 -0.689 . . . . 0.0 109.547 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 7.8 mtmt -65.85 -48.42 71.68 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.354 -0.841 . . . . 0.0 109.941 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.496 0 O-C-N 121.372 -0.83 . . . . 0.0 109.801 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 121.319 0.58 . . . . 0.0 109.854 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -56.1 -21.59 23.12 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.379 -0.826 . . . . 0.0 109.31 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.499 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 2.1 t80 -64.67 -43.4 93.7 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.343 0.592 . . . . 0.0 110.309 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -62.39 -48.34 80.15 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.239 -0.913 . . . . 0.0 109.491 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -38.23 72.47 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.533 -0.73 . . . . 0.0 109.476 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -59.15 -47.38 85.52 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.557 0.694 . . . . 0.0 109.49 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -38.41 75.88 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.621 0.724 . . . . 0.0 109.315 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 12' ' ' LYS . 6.3 tptm -62.28 -51.7 66.64 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 24.0 mttt -63.27 -43.08 98.96 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.476 -0.765 . . . . 0.0 109.455 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.416 HD12 ' NZ ' ' A' ' 16' ' ' LYS . 32.4 tp -60.25 -36.22 77.27 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.543 -0.723 . . . . 0.0 110.116 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -37.78 82.36 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.285 -0.884 . . . . 0.0 110.189 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.46 -50.98 40.44 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.225 -0.922 . . . . 0.0 109.757 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' NZ ' HD12 ' A' ' 13' ' ' LEU . 2.2 ttpm? . . . . . 0 C--N 1.299 -1.599 0 O-C-N 121.378 -0.826 . . . . 0.0 109.511 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mptt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.348 0.594 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -59.35 -32.32 70.0 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.43 -0.794 . . . . 0.0 110.15 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -41.64 68.26 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.103 -0.998 . . . . 0.0 108.821 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.4 ttp180 -62.42 -40.89 98.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.554 -0.716 . . . . 0.0 109.362 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -64.16 -47.73 78.76 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.487 -0.758 . . . . 0.0 109.541 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -32.85 67.81 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.455 -0.778 . . . . 0.0 109.93 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 2.0 t80 -58.03 -40.48 80.99 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.364 -0.835 . . . . 0.0 109.312 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.23 -51.27 66.9 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.314 -0.866 . . . . 0.0 109.042 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 16.3 mmtm -61.06 -45.36 95.09 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.564 -0.71 . . . . 0.0 109.308 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.5 tp -61.58 -38.67 88.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.569 -0.707 . . . . 0.0 109.448 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 11.8 t80 -56.34 -31.68 63.97 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.564 -0.71 . . . . 0.0 109.777 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 6.2 tptp -70.0 -60.6 2.2 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.285 -0.884 . . . . 0.0 109.267 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm . . . . . 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.934 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.459 0.647 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -41.57 92.82 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.5 -0.75 . . . . 0.0 109.986 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -57.68 -31.78 66.69 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.427 -0.796 . . . . 0.0 110.092 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -62.72 -50.27 71.76 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.338 -0.851 . . . . 0.0 109.345 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 16.0 mtpt -63.26 -47.82 80.78 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.399 -0.813 . . . . 0.0 109.336 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 mmtp -57.85 -32.32 67.53 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.562 -0.711 . . . . 0.0 109.551 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.524 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 2.7 t80 -59.01 -33.01 70.24 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.48 -0.763 . . . . 0.0 110.109 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -47.37 84.42 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.329 -0.857 . . . . 0.0 109.778 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -29.17 64.48 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.461 -0.774 . . . . 0.0 109.805 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 13' ' ' LEU . 3.6 mt -66.76 -42.79 85.55 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.394 -0.816 . . . . 0.0 109.181 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.91 -39.26 53.96 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.63 0.728 . . . . 0.0 109.204 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -47.71 76.05 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.331 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp . . . . . 0 C--N 1.302 -1.468 0 O-C-N 121.406 -0.809 . . . . 0.0 109.512 179.346 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.437 0.637 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.2 tpt85 -54.57 -26.03 29.77 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.509 -0.745 . . . . 0.0 109.666 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -58.94 -44.81 91.45 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.437 -0.79 . . . . 0.0 109.097 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -52.9 56.3 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -29.14 61.49 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.483 0.658 . . . . 0.0 109.541 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -44.05 97.65 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.313 -0.867 . . . . 0.0 109.93 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -53.67 -40.58 66.04 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.39 -0.819 . . . . 0.0 108.914 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.0 -48.08 80.36 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.517 0.675 . . . . 0.0 109.359 179.264 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -65.04 -43.61 91.8 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.336 -0.853 . . . . 0.0 109.009 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.632 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.0 tp -57.49 -35.61 70.43 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.596 -0.69 . . . . 0.0 109.551 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 3.5 t80 -58.31 -40.51 82.21 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.401 -0.812 . . . . 0.0 109.916 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -36.59 78.81 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.356 -0.84 . . . . 0.0 109.885 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.406 0 O-C-N 121.5 -0.75 . . . . 0.0 110.133 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.432 0.634 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -59.46 -32.7 70.47 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.41 -0.806 . . . . 0.0 109.826 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 3.3 m-30 -56.38 -40.28 74.33 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.198 -0.939 . . . . 0.0 109.342 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 7' ' ' ARG . 9.2 tpp180 -64.9 -54.14 35.53 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -23.19 31.49 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 1.4 tttt -61.34 -46.87 88.42 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.634 -0.666 . . . . 0.0 109.487 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.73 -39.8 65.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.241 -0.912 . . . . 0.0 108.756 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -53.94 -36.49 62.86 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 5.5 tttt -61.24 -37.41 82.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.651 -0.656 . . . . 0.0 109.76 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.609 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -54.05 -37.04 63.72 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.325 -0.859 . . . . 0.0 109.183 179.767 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.552 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.24 -46.47 90.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.408 -0.807 . . . . 0.0 108.977 179.243 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -69.59 -38.31 77.29 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 18.8 mmtt . . . . . 0 C--N 1.302 -1.481 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.8 mttp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.356 0.598 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -28.58 69.97 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.478 -0.764 . . . . 0.0 109.979 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.454 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 15.5 m-85 -59.38 -43.69 92.85 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.259 -0.9 . . . . 0.0 109.424 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.0 mmt180 -63.79 -51.19 65.92 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.588 -0.845 . . . . 0.0 108.908 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 24.4 mmtm -55.97 -17.93 7.95 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.371 -0.831 . . . . 0.0 109.502 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 10' ' ' PHE . 3.3 pttt -68.46 -44.36 75.0 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.347 -0.846 . . . . 0.0 110.119 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -64.07 -27.83 69.37 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.136 -0.977 . . . . 0.0 109.14 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 17.5 mttp -64.79 -48.48 74.3 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.465 -0.772 . . . . 0.0 109.935 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -34.49 70.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.449 -0.782 . . . . 0.0 109.937 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.536 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -59.81 -36.07 76.01 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.303 -0.873 . . . . 0.0 109.656 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.536 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 11.8 m-85 -67.34 -51.17 55.64 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.277 -0.889 . . . . 0.0 109.761 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -57.2 -30.54 64.62 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.499 -0.751 . . . . 0.0 109.761 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 13' ' ' LEU . 1.4 mtmt . . . . . 0 C--N 1.302 -1.483 0 O-C-N 121.379 -0.825 . . . . 0.0 109.957 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mttt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.409 0.623 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -39.12 82.59 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.308 -0.87 . . . . 0.0 110.196 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -64.61 -52.28 58.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.413 -0.804 . . . . 0.0 109.45 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.494 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 2.9 tpp180 -58.82 -28.11 65.72 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.564 -0.71 . . . . 0.0 109.35 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -64.59 -47.39 78.84 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.25 -0.906 . . . . 0.0 110.07 179.725 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -34.96 64.65 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.317 -0.865 . . . . 0.0 109.784 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.494 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -55.65 -38.69 69.9 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.471 -0.768 . . . . 0.0 109.356 179.553 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' CG ' ' N ' ' A' ' 12' ' ' LYS . 22.5 pttt -60.0 -42.31 93.99 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.385 -0.822 . . . . 0.0 109.47 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.96 -41.97 90.51 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.25 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -58.43 -46.27 86.84 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.12 -37.4 77.12 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.8 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -32.04 73.39 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.202 -0.937 . . . . 0.0 109.583 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.307 -1.271 0 O-C-N 121.358 -0.839 . . . . 0.0 108.745 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 121.394 0.616 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -58.6 -43.41 89.55 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.253 -0.904 . . . . 0.0 109.604 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -52.34 61.6 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.606 0.717 . . . . 0.0 109.357 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.31 -32.87 71.63 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 1.5 tppp? -59.09 -37.57 77.43 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.477 -0.764 . . . . 0.0 109.413 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -65.19 -38.4 90.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -66.22 -48.81 69.38 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.636 -0.665 . . . . 0.0 109.635 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -60.61 -26.67 67.18 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.299 -0.875 . . . . 0.0 109.443 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -66.76 -32.69 74.15 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.506 -0.746 . . . . 0.0 109.807 179.644 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.647 ' N ' HD23 ' A' ' 13' ' ' LEU . 3.7 mt -65.6 -46.2 80.28 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.812 0.815 . . . . 0.0 109.231 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -41.96 67.25 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.662 0.744 . . . . 0.0 109.534 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -43.47 98.82 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.487 0.66 . . . . 0.0 110.171 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.301 -1.516 0 O-C-N 121.552 -0.717 . . . . 0.0 110.743 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttm . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 121.58 0.705 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 6' ' ' PHE . 4.8 ptm180 -60.62 -35.43 76.14 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.466 -0.771 . . . . 0.0 109.801 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.431 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 80.1 t80 -63.82 -47.54 80.42 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.449 -0.782 . . . . 0.0 109.812 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.82 -39.92 86.7 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.451 -0.781 . . . . 0.0 109.695 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -43.3 98.66 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.484 -0.76 . . . . 0.0 109.809 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -61.07 -47.17 87.55 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.434 -0.792 . . . . 0.0 109.24 179.533 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.542 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -64.73 -47.51 78.03 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.467 -0.771 . . . . 0.0 109.232 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -22.83 56.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.414 -0.804 . . . . 0.0 109.342 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -63.48 -44.08 95.44 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.437 -0.789 . . . . 0.0 110.208 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.542 HD21 ' CD1' ' A' ' 10' ' ' PHE . 1.3 pp -68.62 -30.36 69.06 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.129 -0.982 . . . . 0.0 109.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.524 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -73.32 -36.52 66.24 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.313 -0.867 . . . . 0.0 109.169 179.117 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -40.12 88.31 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.588 -0.695 . . . . 0.0 109.778 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.377 0 O-C-N 121.333 -0.854 . . . . 0.0 108.869 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 tptm . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 121.349 0.595 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.561 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -63.37 -23.37 67.38 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.262 -0.899 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.561 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -66.74 -53.09 37.0 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.135 -0.978 . . . . 0.0 109.506 179.549 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -58.52 -34.88 71.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.35 -0.844 . . . . 0.0 109.256 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -33.8 70.13 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.575 -0.703 . . . . 0.0 109.959 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 1.3 tptt -60.54 -51.8 67.89 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.298 -0.876 . . . . 0.0 108.955 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.515 ' HA ' HD23 ' A' ' 13' ' ' LEU . 12.8 t80 -59.97 -26.53 66.08 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -24.35 66.71 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.47 -0.769 . . . . 0.0 109.518 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -63.61 -49.95 71.3 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.477 -0.764 . . . . 0.0 110.097 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.523 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 1.7 pp -57.04 -29.05 63.07 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.43 -0.794 . . . . 0.0 109.879 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.523 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -75.0 -42.5 57.35 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.358 -0.839 . . . . 0.0 109.226 179.369 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 1.4 tptp -60.73 -34.63 74.7 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.558 -0.714 . . . . 0.0 109.757 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.328 0 O-C-N 121.306 -0.871 . . . . 0.0 109.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 121.405 0.621 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -29.39 19.47 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.279 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 3.3 t80 -56.73 -40.41 75.69 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.57 -0.706 . . . . 0.0 109.403 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -64.55 -44.87 89.42 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.507 -0.746 . . . . 0.0 109.566 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -33.43 72.78 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.46 -0.775 . . . . 0.0 109.61 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -57.94 -45.18 87.0 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.357 -0.84 . . . . 0.0 109.287 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.9 t80 -58.2 -36.13 72.64 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.507 -0.745 . . . . 0.0 109.341 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -68.37 -17.85 64.34 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.2 -52.48 22.96 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.725 -0.609 . . . . 0.0 110.302 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 10' ' ' PHE . 2.6 pp -56.73 -26.99 58.43 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.63 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 1.1 t80 -71.31 -56.16 6.56 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.4 -0.813 . . . . 0.0 109.84 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.27 -23.02 67.24 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.483 -0.761 . . . . 0.0 109.9 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.305 0 O-C-N 121.282 -0.886 . . . . 0.0 110.246 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 tttt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 121.571 0.701 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -51.95 44.8 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.386 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.29 -30.08 62.03 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.55 -0.719 . . . . 0.0 109.481 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -57.79 -41.06 81.3 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.444 -0.785 . . . . 0.0 109.53 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -66.04 -53.88 32.91 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.474 -0.766 . . . . 0.0 109.093 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -57.34 -35.27 69.69 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.627 -0.671 . . . . 0.0 109.537 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -61.74 -43.71 98.33 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.482 -0.762 . . . . 0.0 109.682 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -63.43 -48.62 77.02 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.32 -0.862 . . . . 0.0 109.396 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.88 -40.98 90.54 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.636 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.67 -45.62 91.97 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.417 -0.802 . . . . 0.0 109.725 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.19 -42.15 89.26 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.475 -0.766 . . . . 0.0 109.532 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -36.84 84.81 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.495 -0.753 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tttm . . . . . 0 C--N 1.306 -1.307 0 O-C-N 121.191 -0.943 . . . . 0.0 110.113 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.237 0.541 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 ttp85 -62.88 -49.48 74.68 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.285 -0.884 . . . . 0.0 110.068 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -57.32 -35.58 70.04 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.641 -0.662 . . . . 0.0 109.824 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -58.78 -39.51 81.25 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.516 -0.74 . . . . 0.0 109.845 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -57.34 -41.62 80.41 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.351 -0.843 . . . . 0.0 109.404 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 13' ' ' LEU . 1.2 ttmm -56.66 -30.57 63.52 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.667 -0.646 . . . . 0.0 109.828 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 40.5 t80 -59.5 -51.28 70.53 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.284 -0.885 . . . . 0.0 108.739 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -65.41 -46.76 78.74 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.9 mptp? -61.54 -35.42 77.7 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.548 -0.72 . . . . 0.0 109.084 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 8.2 tp -56.16 -38.18 70.55 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.368 -0.833 . . . . 0.0 108.935 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -40.04 94.66 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.413 -0.804 . . . . 0.0 109.347 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 12.3 mttt -57.47 -30.58 65.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.428 -0.795 . . . . 0.0 109.808 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.445 0 O-C-N 121.12 -0.988 . . . . 0.0 109.594 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.7 mttt . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -55.54 -31.28 61.99 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.636 -0.665 . . . . 0.0 110.054 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.492 ' CG ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -57.18 -48.18 79.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.264 -0.897 . . . . 0.0 109.057 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.492 ' N ' ' CG ' ' A' ' 6' ' ' PHE . 53.9 ttt-85 -62.39 -43.25 99.26 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.619 -0.675 . . . . 0.0 109.612 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -28.66 64.45 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.458 -0.776 . . . . 0.0 109.664 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -54.55 20.65 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.244 -0.91 . . . . 0.0 109.655 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 4.2 m-30 -58.95 -39.66 82.34 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.448 -0.782 . . . . 0.0 109.009 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -50.48 68.65 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.459 -0.776 . . . . 0.0 109.075 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.77 -38.41 72.44 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.614 0.721 . . . . 0.0 109.224 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB3' ' O ' ' A' ' 10' ' ' PHE . 11.9 tp -56.69 -40.91 76.41 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -71.26 -42.15 69.16 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.54 -34.22 75.17 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.386 -0.821 . . . . 0.0 109.421 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.304 -1.375 0 O-C-N 121.305 -0.872 . . . . 0.0 108.705 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 121.449 0.642 . . . . 0.0 109.663 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -66.23 -48.71 69.68 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.397 -0.814 . . . . 0.0 110.206 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -58.84 -34.0 71.06 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.419 -0.801 . . . . 0.0 110.025 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.37 -42.6 99.53 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.436 -0.79 . . . . 0.0 110.237 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.68 94.64 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 109.862 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -61.46 -37.91 85.32 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.405 -0.809 . . . . 0.0 110.251 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -59.29 -34.6 72.48 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.305 -0.872 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -46.22 91.44 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.158 -0.964 . . . . 0.0 109.858 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -58.01 -35.3 71.06 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.468 -0.77 . . . . 0.0 109.841 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -59.95 -30.67 69.24 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.516 -0.74 . . . . 0.0 110.152 -179.794 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -67.06 -49.06 66.35 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.148 -0.97 . . . . 0.0 110.255 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -39.73 76.89 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 109.464 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.489 0 O-C-N 121.472 -0.767 . . . . 0.0 109.385 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.404 0.621 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -35.0 70.77 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 110.105 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.45 -36.14 73.23 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.4 -0.812 . . . . 0.0 110.265 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -63.61 -52.73 59.61 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.202 -0.937 . . . . 0.0 109.343 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.96 -43.28 99.17 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.505 -0.747 . . . . 0.0 109.001 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -58.69 -26.61 64.03 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.585 -0.697 . . . . 0.0 109.624 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.818 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -63.42 -47.4 82.09 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.426 -0.797 . . . . 0.0 110.037 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -60.39 -44.64 95.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.465 -0.772 . . . . 0.0 109.474 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -39.51 83.03 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.542 -0.724 . . . . 0.0 109.866 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.818 HD23 ' HA ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.08 -35.46 75.22 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.414 -0.804 . . . . 0.0 110.144 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 2.3 m-85 -69.51 -31.94 70.49 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.235 -0.916 . . . . 0.0 109.332 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -49.67 67.02 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.562 -0.711 . . . . 0.0 109.749 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tttt . . . . . 0 C--N 1.301 -1.531 0 O-C-N 121.403 -0.811 . . . . 0.0 109.415 179.546 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -56.44 -35.06 67.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.577 -0.702 . . . . 0.0 109.366 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.01 -41.69 83.63 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.487 -0.758 . . . . 0.0 109.431 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -62.52 -48.52 79.2 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.41 -43.39 98.95 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.531 -0.73 . . . . 0.0 109.253 179.06 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -62.49 -46.0 90.45 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.498 -0.751 . . . . 0.0 109.367 179.342 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 1.018 ' O ' HD23 ' A' ' 13' ' ' LEU . 81.1 t80 -64.74 -43.75 92.35 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.41 -0.807 . . . . 0.0 109.253 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.5 tptp -60.33 -23.93 64.62 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.245 -0.909 . . . . 0.0 109.365 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 82.3 tttt -69.43 -56.13 8.32 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.395 -0.815 . . . . 0.0 109.799 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.018 HD23 ' O ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -67.85 -34.08 76.02 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.985 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -67.51 -27.99 67.45 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.379 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -60.0 -42.28 93.92 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? . . . . . 0 C--N 1.302 -1.479 0 O-C-N 121.285 -0.885 . . . . 0.0 109.209 179.463 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 121.486 0.66 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.09 78.47 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.409 -0.807 . . . . 0.0 109.459 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -60.0 -44.19 94.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.574 -0.704 . . . . 0.0 109.518 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.44 -23.55 10.33 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.266 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -59.36 -46.83 87.55 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.328 -0.857 . . . . 0.0 109.375 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -60.68 -36.18 78.11 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.539 -0.725 . . . . 0.0 109.354 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -55.23 -45.46 76.0 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.368 -0.833 . . . . 0.0 108.763 179.187 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -61.55 -45.3 94.73 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.754 0.788 . . . . 0.0 109.02 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -38.85 75.34 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.6 -0.687 . . . . 0.0 109.371 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -51.78 -41.4 61.62 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.301 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -64.63 -51.25 63.59 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -59.45 -34.96 73.17 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.569 0.7 . . . . 0.0 109.735 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.304 -1.406 0 O-C-N 121.38 -0.825 . . . . 0.0 110.154 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.455 ' N ' ' CD ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -139.6 -104.62 0.16 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.227 -1.161 . . . . 0.0 110.226 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.518 ' CE1' ' HG2' ' A' ' 4' ' ' LYS . 6.2 p90 -57.05 -28.2 62.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.798 -1.189 . . . . 0.0 110.174 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.518 ' HG2' ' CE1' ' A' ' 3' ' ' PHE . 19.9 mmmt -68.04 -53.8 23.09 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.238 -0.914 . . . . 0.0 109.775 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -60.62 -37.89 82.93 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.366 -0.834 . . . . 0.0 109.377 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -59.53 -37.25 77.87 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.58 -0.7 . . . . 0.0 109.935 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.82 -44.93 96.26 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.43 -0.794 . . . . 0.0 109.75 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -37.75 78.66 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.533 -0.729 . . . . 0.0 109.949 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 21.6 tttt -65.39 -48.45 72.85 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.447 -0.783 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -36.29 81.09 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.294 -0.879 . . . . 0.0 109.832 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 1.2 tppp? -59.95 -35.36 74.78 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.431 -0.793 . . . . 0.0 110.057 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.709 ' CG ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -58.57 -36.2 73.56 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.289 -0.882 . . . . 0.0 109.668 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.709 HD23 ' CG ' ' A' ' 12' ' ' LYS . 5.4 mt -69.78 -43.68 71.67 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.357 -0.839 . . . . 0.0 109.036 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -58.2 -39.13 78.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 110.034 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -59.63 -43.53 93.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.417 -0.802 . . . . 0.0 109.765 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -29.82 62.72 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.496 -0.753 . . . . 0.0 110.104 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.95 -40.9 97.5 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.47 -0.769 . . . . 0.0 110.929 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.04 143.09 73.38 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.237 -0.915 . . . . 0.0 110.406 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' VAL . 48.1 Cg_endo -74.8 57.24 4.37 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.97 1.511 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' PRO . 13.7 t 43.67 45.26 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.236 -0.915 . . . . 0.0 109.854 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 21' ' ' ILE . 3.9 tp -121.0 104.41 41.52 Favored Pre-proline 0 N--CA 1.488 1.468 0 O-C-N 121.345 -0.847 . . . . 0.0 109.778 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.47 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 42.7 Cg_endo -69.71 -7.66 21.62 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 O-C-N 123.908 1.478 . . . . 0.0 110.037 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 -52.03 10.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.356 -0.84 . . . . 0.0 109.752 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -28.2 67.5 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.598 -0.689 . . . . 0.0 110.296 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -83.12 -34.27 26.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 110.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 6.5 mp -89.05 -46.07 9.14 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.303 -0.873 . . . . 0.0 110.181 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.521 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 2.8 tpt180 68.65 2.04 3.27 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.441 -1.035 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.541 ' CE1' ' HD2' ' A' ' 4' ' ' LYS . 12.4 p90 -73.03 -27.4 61.74 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.979 -1.076 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' HD2' ' CE1' ' A' ' 3' ' ' PHE . 2.4 mttp -54.54 -40.01 68.24 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.29 -0.881 . . . . 0.0 109.55 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -31.68 68.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.574 -0.704 . . . . 0.0 110.053 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.73 -45.46 92.11 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.315 -0.866 . . . . 0.0 109.565 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -60.05 -38.81 83.88 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.488 -0.757 . . . . 0.0 109.651 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -39.64 83.9 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.493 -0.755 . . . . 0.0 109.813 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -50.0 71.86 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.479 -0.763 . . . . 0.0 109.687 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -37.95 73.6 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.496 -0.752 . . . . 0.0 109.079 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -62.67 -44.16 96.96 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.552 -0.718 . . . . 0.0 109.775 179.505 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -58.37 -46.92 85.38 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.404 -0.81 . . . . 0.0 109.357 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.93 -50.44 68.68 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.1 m-85 -60.05 -34.96 74.11 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.597 -0.689 . . . . 0.0 109.547 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 7.8 mtmt -65.85 -48.42 71.68 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.354 -0.841 . . . . 0.0 109.941 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -35.61 80.25 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.372 -0.83 . . . . 0.0 109.801 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -85.96 -34.79 20.76 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.56 -0.712 . . . . 0.0 111.122 -179.505 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.463 ' HA ' ' HG3' ' A' ' 22' ' ' PRO . 29.2 p -92.37 96.05 1.17 Allowed Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.317 -0.865 . . . . 0.0 111.198 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.587 ' HD3' ' O ' ' A' ' 17' ' ' LEU . 44.1 Cg_endo -66.74 84.81 0.3 Allowed 'Trans proline' 0 C--N 1.309 -1.513 0 O-C-N 123.697 1.367 . . . . 0.0 111.887 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.611 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 26.3 t 35.07 72.16 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.641 -0.662 . . . . 0.0 111.819 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.611 ' HB ' ' O ' ' A' ' 20' ' ' VAL . 6.7 mm 75.7 78.22 0.17 Allowed Pre-proline 0 N--CA 1.502 2.127 0 O-C-N 122.073 -0.392 . . . . 0.0 111.909 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.513 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 47.5 Cg_endo -85.05 -15.25 5.68 Favored 'Trans proline' 0 C--N 1.303 -1.857 0 O-C-N 124.001 1.527 . . . . 0.0 109.95 178.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -56.77 -70.71 0.11 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 110.713 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -19.55 5.39 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.342 -0.849 . . . . 0.0 110.182 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -85.7 -18.77 32.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.352 -0.843 . . . . 0.0 109.654 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 23' ' ' LEU . 3.9 mt -73.57 145.36 45.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.393 -0.817 . . . . 0.0 110.083 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.789 -1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.519 ' HG3' ' N ' ' A' ' 3' ' ' PHE . 17.6 tpt180 -147.52 -86.75 0.09 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.232 -1.158 . . . . 0.0 110.441 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 3' ' ' PHE . 12.2 p90 -77.92 -25.33 48.33 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.332 -0.855 . . . . 0.0 110.607 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -66.68 -51.72 52.92 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.283 -0.886 . . . . 0.0 109.854 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -56.1 -21.59 23.12 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.379 -0.826 . . . . 0.0 109.31 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.499 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 2.1 t80 -64.67 -43.4 93.7 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.343 0.592 . . . . 0.0 110.309 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -62.39 -48.34 80.15 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.239 -0.913 . . . . 0.0 109.491 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -38.23 72.47 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.533 -0.73 . . . . 0.0 109.476 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -59.15 -47.38 85.52 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.557 0.694 . . . . 0.0 109.49 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -38.41 75.88 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.621 0.724 . . . . 0.0 109.315 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 12' ' ' LYS . 6.3 tptm -62.28 -51.7 66.64 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 24.0 mttt -63.27 -43.08 98.96 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.476 -0.765 . . . . 0.0 109.455 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.416 HD12 ' NZ ' ' A' ' 16' ' ' LYS . 32.4 tp -60.25 -36.22 77.27 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.543 -0.723 . . . . 0.0 110.116 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -37.78 82.36 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.285 -0.884 . . . . 0.0 110.189 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.46 -50.98 40.44 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.225 -0.922 . . . . 0.0 109.757 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' NZ ' HD12 ' A' ' 13' ' ' LEU . 2.2 ttpm? -56.16 -27.06 52.84 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.378 -0.826 . . . . 0.0 109.511 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.575 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 11.0 tp -60.06 -48.08 83.21 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.317 -0.865 . . . . 0.0 110.583 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.71 80.69 0.13 Allowed Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.513 -0.742 . . . . 0.0 111.943 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.575 ' HD3' ' O ' ' A' ' 17' ' ' LEU . 47.1 Cg_endo -68.41 -46.47 2.0 Allowed 'Trans proline' 0 C--N 1.312 -1.365 0 N-CA-C 109.324 -1.068 . . . . 0.0 109.324 178.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.822 HG13 HG22 ' A' ' 21' ' ' ILE . 7.0 p 170.4 -26.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.822 HG22 HG13 ' A' ' 20' ' ' VAL . 1.2 tp -150.42 70.05 8.93 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.555 -0.716 . . . . 0.0 109.985 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -77.97 -7.73 16.45 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 O-C-N 124.027 1.541 . . . . 0.0 110.956 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.62 -15.13 50.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.033 -1.042 . . . . 0.0 110.362 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 24' ' ' LEU . 9.7 tp -69.16 -45.31 70.35 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.106 -0.996 . . . . 0.0 110.579 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -20.17 60.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.375 -0.828 . . . . 0.0 110.2 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.88 149.39 25.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.225 -0.922 . . . . 0.0 110.221 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -85.64 -52.43 5.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.256 -1.144 . . . . 0.0 110.213 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 36.4 m-85 -60.53 -42.22 96.06 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.347 -0.845 . . . . 0.0 109.857 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -56.3 -29.29 61.04 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.301 -0.874 . . . . 0.0 109.751 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -59.35 -32.32 70.0 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.43 -0.794 . . . . 0.0 110.15 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER -54.03 -41.64 68.26 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.103 -0.998 . . . . 0.0 108.821 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.4 ttp180 -62.42 -40.89 98.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.554 -0.716 . . . . 0.0 109.362 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -64.16 -47.73 78.76 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.487 -0.758 . . . . 0.0 109.541 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -32.85 67.81 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.455 -0.778 . . . . 0.0 109.93 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 2.0 t80 -58.03 -40.48 80.99 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.364 -0.835 . . . . 0.0 109.312 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.23 -51.27 66.9 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.314 -0.866 . . . . 0.0 109.042 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 16.3 mmtm -61.06 -45.36 95.09 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.564 -0.71 . . . . 0.0 109.308 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 26.5 tp -61.58 -38.67 88.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.569 -0.707 . . . . 0.0 109.448 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 11.8 t80 -56.34 -31.68 63.97 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.564 -0.71 . . . . 0.0 109.777 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 6.2 tptp -70.0 -60.6 2.2 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.285 -0.884 . . . . 0.0 109.267 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -60.99 -22.56 64.63 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.726 ' O ' HG13 ' A' ' 20' ' ' VAL . 15.9 tp -90.69 2.11 56.24 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.67 -0.644 . . . . 0.0 110.663 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.639 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 33.5 t -60.97 -35.98 29.85 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.391 -0.818 . . . . 0.0 112.106 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 18' ' ' SER . 40.9 Cg_endo -71.19 6.37 1.83 Allowed 'Trans proline' 0 C--N 1.313 -1.293 0 O-C-N 122.756 0.872 . . . . 0.0 111.077 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -38.25 -45.28 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.25 -0.906 . . . . 0.0 110.015 179.076 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.703 ' O ' HG23 ' A' ' 21' ' ' ILE . 6.8 tp 31.92 108.39 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.676 0 CA-C-O 121.435 0.636 . . . . 0.0 111.598 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 39.7 Cg_endo -66.09 -2.08 6.3 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 O-C-N 123.485 1.255 . . . . 0.0 110.258 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' HB2' HG13 ' A' ' 21' ' ' ILE . 4.1 mm? -88.11 -13.58 40.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.201 -0.937 . . . . 0.0 110.115 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.67 -46.8 80.88 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.271 -0.893 . . . . 0.0 110.462 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.57 -27.1 29.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 0.0 110.572 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -81.91 156.72 24.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 110.279 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -39.13 -77.5 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.961 . . . . 0.0 110.708 -179.746 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -23.45 43.37 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 110.285 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -50.67 -31.46 16.38 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.342 -0.849 . . . . 0.0 109.835 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -41.57 92.82 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.5 -0.75 . . . . 0.0 109.986 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -57.68 -31.78 66.69 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.427 -0.796 . . . . 0.0 110.092 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -62.72 -50.27 71.76 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.338 -0.851 . . . . 0.0 109.345 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 16.0 mtpt -63.26 -47.82 80.78 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.399 -0.813 . . . . 0.0 109.336 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 mmtp -57.85 -32.32 67.53 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.562 -0.711 . . . . 0.0 109.551 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.524 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 2.7 t80 -59.01 -33.01 70.24 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.48 -0.763 . . . . 0.0 110.109 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -47.37 84.42 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.329 -0.857 . . . . 0.0 109.778 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -29.17 64.48 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.461 -0.774 . . . . 0.0 109.805 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 13' ' ' LEU . 3.6 mt -66.76 -42.79 85.55 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.394 -0.816 . . . . 0.0 109.181 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.91 -39.26 53.96 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.63 0.728 . . . . 0.0 109.204 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' O ' ' OG ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -65.17 -47.71 76.05 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.331 179.446 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -61.72 -31.96 72.16 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.406 -0.809 . . . . 0.0 109.512 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -48.66 67.31 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.598 -0.689 . . . . 0.0 110.597 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.503 ' HB2' ' HB ' ' A' ' 21' ' ' ILE . 40.6 p -51.11 111.26 2.2 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 0.0 109.667 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.588 ' C ' HG22 ' A' ' 20' ' ' VAL . 46.1 Cg_endo -71.7 116.62 4.77 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.936 1.493 . . . . 0.0 111.511 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.588 HG22 ' C ' ' A' ' 19' ' ' PRO . 32.9 m 35.5 45.87 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.688 -0.632 . . . . 0.0 111.35 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -77.97 -37.15 1.46 Allowed Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.228 -0.92 . . . . 0.0 110.704 179.233 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 48.0 Cg_endo -78.79 -21.91 9.37 Favored 'Trans proline' 0 C--N 1.316 -1.146 0 O-C-N 123.344 1.181 . . . . 0.0 110.346 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.914 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.3 tm? -65.03 -27.81 69.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.95 . . . . 0.0 110.182 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -26.62 64.78 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.333 -0.854 . . . . 0.0 110.359 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.13 -40.05 68.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.0 110.401 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -70.33 0.46 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.32 -0.863 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.17 7.42 35.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.263 -1.14 . . . . 0.0 110.186 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.487 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -58.41 -15.21 9.81 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.258 -0.901 . . . . 0.0 110.303 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -74.0 -50.18 21.02 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.291 -0.881 . . . . 0.0 109.829 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.2 tpt85 -54.57 -26.03 29.77 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.509 -0.745 . . . . 0.0 109.666 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 3.7 m-30 -58.94 -44.81 91.45 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.437 -0.79 . . . . 0.0 109.097 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -52.9 56.3 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -29.14 61.49 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.483 0.658 . . . . 0.0 109.541 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -44.05 97.65 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.313 -0.867 . . . . 0.0 109.93 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -53.67 -40.58 66.04 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.39 -0.819 . . . . 0.0 108.914 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.0 -48.08 80.36 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.517 0.675 . . . . 0.0 109.359 179.264 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -65.04 -43.61 91.8 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.336 -0.853 . . . . 0.0 109.009 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.632 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.0 tp -57.49 -35.61 70.43 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.596 -0.69 . . . . 0.0 109.551 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' ' OG ' ' A' ' 18' ' ' SER . 3.5 t80 -58.31 -40.51 82.21 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.401 -0.812 . . . . 0.0 109.916 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -36.59 78.81 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.356 -0.84 . . . . 0.0 109.885 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -51.76 51.69 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.5 -0.75 . . . . 0.0 110.133 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.683 ' C ' HD23 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -83.35 -9.91 58.78 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.521 -0.737 . . . . 0.0 109.961 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.561 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -51.16 106.51 0.66 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.189 -0.945 . . . . 0.0 110.6 -179.657 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 17' ' ' LEU . 44.4 Cg_endo -76.55 -42.51 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 O-C-N 123.964 1.507 . . . . 0.0 109.487 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.478 ' C ' HD12 ' A' ' 21' ' ' ILE . 1.9 t -149.61 20.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.653 -0.654 . . . . 0.0 109.858 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.609 HG22 ' O ' ' A' ' 21' ' ' ILE . 3.3 mp 58.56 56.2 6.02 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 121.429 -0.795 . . . . 0.0 111.384 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 21' ' ' ILE . 53.4 Cg_endo -80.63 -1.05 11.05 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 123.902 1.475 . . . . 0.0 110.165 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -79.52 -38.46 34.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.0 110.545 -179.551 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.96 -18.47 5.08 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.315 -0.865 . . . . 0.0 110.129 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' NH2 . 29.3 m80 -88.74 -18.31 28.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.457 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.29 81.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.128 -0.983 . . . . 0.0 110.072 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.3 -24.4 13.89 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -1.209 . . . . 0.0 110.383 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -49.75 -36.56 26.25 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.06 -1.025 . . . . 0.0 109.352 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.11 -25.75 23.7 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.631 -0.668 . . . . 0.0 109.572 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -59.46 -32.7 70.47 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.41 -0.806 . . . . 0.0 109.826 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 3.3 m-30 -56.38 -40.28 74.33 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.198 -0.939 . . . . 0.0 109.342 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 7' ' ' ARG . 9.2 tpp180 -64.9 -54.14 35.53 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -23.19 31.49 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 1.4 tttt -61.34 -46.87 88.42 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.634 -0.666 . . . . 0.0 109.487 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.73 -39.8 65.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.241 -0.912 . . . . 0.0 108.756 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -53.94 -36.49 62.86 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 5.5 tttt -61.24 -37.41 82.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.651 -0.656 . . . . 0.0 109.76 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.609 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -54.05 -37.04 63.72 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.325 -0.859 . . . . 0.0 109.183 179.767 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.552 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.24 -46.47 90.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.408 -0.807 . . . . 0.0 108.977 179.243 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 2.3 mptp? -69.59 -38.31 77.29 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 18.8 mmtt -54.98 -32.02 61.33 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -49.54 -31.03 9.48 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.232 179.628 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.599 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -64.15 -66.53 1.43 Allowed Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 120.986 -1.071 . . . . 0.0 109.123 179.137 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.715 ' C ' HG23 ' A' ' 20' ' ' VAL . 52.7 Cg_endo -76.22 129.34 11.2 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 O-C-N 123.442 1.233 . . . . 0.0 109.884 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.715 HG23 ' C ' ' A' ' 19' ' ' PRO . 2.6 t 77.57 -21.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 121.449 -0.782 . . . . 0.0 111.483 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.788 ' O ' HG23 ' A' ' 21' ' ' ILE . 9.2 tt 27.75 66.43 0.59 Allowed Pre-proline 0 N--CA 1.498 1.926 0 O-C-N 121.656 -0.652 . . . . 0.0 111.606 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 17' ' ' LEU . 41.7 Cg_endo -70.77 -9.24 25.36 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 O-C-N 123.835 1.439 . . . . 0.0 109.697 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -60.26 3.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.4 -0.812 . . . . 0.0 109.312 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -56.68 -29.61 62.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.451 -0.781 . . . . 0.0 109.757 179.352 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -30.64 61.1 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.433 -0.792 . . . . 0.0 109.861 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.28 23.36 2.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.306 -0.871 . . . . 0.0 109.995 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.916 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' ' HD2' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 3.4 mmm180 -62.64 -82.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -1.182 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -55.6 -31.1 61.96 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.386 -0.821 . . . . 0.0 109.981 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -53.51 -30.71 42.69 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.236 -0.915 . . . . 0.0 109.431 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -63.79 -28.58 69.97 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.478 -0.764 . . . . 0.0 109.979 179.687 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 15.5 m-85 -59.38 -43.69 92.85 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.259 -0.9 . . . . 0.0 109.424 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.0 mmt180 -63.79 -51.19 65.92 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.588 -0.845 . . . . 0.0 108.908 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 24.4 mmtm -55.97 -17.93 7.95 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.371 -0.831 . . . . 0.0 109.502 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 10' ' ' PHE . 3.3 pttt -68.46 -44.36 75.0 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.347 -0.846 . . . . 0.0 110.119 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -64.07 -27.83 69.37 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.136 -0.977 . . . . 0.0 109.14 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 17.5 mttp -64.79 -48.48 74.3 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.465 -0.772 . . . . 0.0 109.935 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -34.49 70.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.449 -0.782 . . . . 0.0 109.937 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.536 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -59.81 -36.07 76.01 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.303 -0.873 . . . . 0.0 109.656 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.536 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 11.8 m-85 -67.34 -51.17 55.64 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.277 -0.889 . . . . 0.0 109.761 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.513 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 6.8 ttmm -57.2 -30.54 64.62 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.499 -0.751 . . . . 0.0 109.761 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 13' ' ' LEU . 1.4 mtmt -62.27 -46.29 89.48 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.379 -0.825 . . . . 0.0 109.957 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 51.3 tp -84.19 -2.26 56.57 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.491 -0.756 . . . . 0.0 110.728 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -65.87 -57.56 13.49 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.103 -0.998 . . . . 0.0 110.158 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.602 ' O ' HG23 ' A' ' 20' ' ' VAL . 47.3 Cg_endo -71.95 80.01 1.57 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 O-C-N 123.92 1.484 . . . . 0.0 110.254 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.2 t 165.41 -6.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.571 -0.706 . . . . 0.0 111.525 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -70.3 -32.31 2.69 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 120.538 -1.351 . . . . 0.0 112.434 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 45.5 Cg_endo -74.71 8.63 2.23 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 O-C-N 122.823 0.907 . . . . 0.0 112.002 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.59 -23.95 34.15 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.655 -1.278 . . . . 0.0 110.118 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.621 ' C ' HD23 ' A' ' 24' ' ' LEU . 9.6 tt -58.04 -35.6 71.54 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.373 -0.83 . . . . 0.0 110.607 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -69.38 -55.1 11.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.29 -0.881 . . . . 0.0 110.523 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.93 170.47 14.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.292 -0.88 . . . . 0.0 110.532 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.91 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 -100.56 -20.21 15.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.17 -1.194 . . . . 0.0 109.95 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -59.97 -17.1 35.62 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.354 -0.841 . . . . 0.0 110.61 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -54.91 -27.99 47.33 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.18 -0.95 . . . . 0.0 110.233 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -39.12 82.59 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.308 -0.87 . . . . 0.0 110.196 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -64.61 -52.28 58.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.413 -0.804 . . . . 0.0 109.45 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.494 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 2.9 tpp180 -58.82 -28.11 65.72 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.564 -0.71 . . . . 0.0 109.35 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -64.59 -47.39 78.84 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.25 -0.906 . . . . 0.0 110.07 179.725 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -34.96 64.65 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.317 -0.865 . . . . 0.0 109.784 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.494 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -55.65 -38.69 69.9 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.471 -0.768 . . . . 0.0 109.356 179.553 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' CG ' ' N ' ' A' ' 12' ' ' LYS . 22.5 pttt -60.0 -42.31 93.99 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.385 -0.822 . . . . 0.0 109.47 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.96 -41.97 90.51 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.25 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -58.43 -46.27 86.84 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.511 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 11.8 t80 -59.12 -37.4 77.12 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.8 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -32.04 73.39 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.202 -0.937 . . . . 0.0 109.583 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.03 -41.82 68.46 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.358 -0.839 . . . . 0.0 108.745 179.422 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 14' ' ' PHE . 2.2 mm? -46.03 -61.07 1.91 Allowed 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.437 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 m -44.55 130.8 4.91 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.602 -0.686 . . . . 0.0 109.818 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.573 ' C ' HG23 ' A' ' 20' ' ' VAL . 51.5 Cg_endo -81.43 33.26 0.52 Allowed 'Trans proline' 0 C--N 1.308 -1.584 0 O-C-N 123.889 1.468 . . . . 0.0 111.52 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.573 HG23 ' C ' ' A' ' 19' ' ' PRO . 2.8 t 69.15 40.9 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.087 -1.008 . . . . 0.0 110.448 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 21' ' ' ILE . 1.4 tt 30.15 59.73 0.91 Allowed Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 121.843 -0.536 . . . . 0.0 111.524 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 48.0 Cg_endo -78.54 -1.55 11.7 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 123.862 1.453 . . . . 0.0 110.488 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.6 -54.63 9.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.96 . . . . 0.0 110.235 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -24.95 18.26 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.294 -0.879 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -86.92 -40.52 14.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.363 -0.835 . . . . 0.0 110.266 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.91 -72.0 0.5 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.327 -0.858 . . . . 0.0 110.146 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -92.44 -1.24 57.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.266 -1.138 . . . . 0.0 110.115 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.23 -29.14 60.59 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.297 -0.877 . . . . 0.0 110.177 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -61.86 -39.36 91.59 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.429 -0.795 . . . . 0.0 110.401 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -58.6 -43.41 89.55 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.253 -0.904 . . . . 0.0 109.604 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -52.34 61.6 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.606 0.717 . . . . 0.0 109.357 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.31 -32.87 71.63 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 1.5 tppp? -59.09 -37.57 77.43 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.477 -0.764 . . . . 0.0 109.413 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -65.19 -38.4 90.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -66.22 -48.81 69.38 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.636 -0.665 . . . . 0.0 109.635 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -60.61 -26.67 67.18 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.299 -0.875 . . . . 0.0 109.443 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -66.76 -32.69 74.15 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.506 -0.746 . . . . 0.0 109.807 179.644 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.647 ' N ' HD23 ' A' ' 13' ' ' LEU . 3.7 mt -65.6 -46.2 80.28 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.812 0.815 . . . . 0.0 109.231 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -41.96 67.25 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.662 0.744 . . . . 0.0 109.534 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 18' ' ' SER . 1.0 OUTLIER -61.46 -43.47 98.82 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.487 0.66 . . . . 0.0 110.171 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -37.57 87.58 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.552 -0.717 . . . . 0.0 110.743 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' SER . 12.7 tp -89.21 -1.73 58.2 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.21 -0.931 . . . . 0.0 110.838 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -41.63 130.12 2.36 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.348 -0.845 . . . . 0.0 110.05 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.455 ' O ' ' HD3' ' A' ' 22' ' ' PRO . 47.0 Cg_endo -72.0 -26.79 18.08 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 O-C-N 124.012 1.532 . . . . 0.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 21' ' ' ILE . 71.0 t -47.87 -35.31 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.228 -0.92 . . . . 0.0 110.088 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.589 HG12 HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -149.07 86.58 5.61 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.236 -0.915 . . . . 0.0 110.04 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 47.4 Cg_endo -74.61 -5.73 17.28 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 O-C-N 124.016 1.535 . . . . 0.0 110.245 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.816 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -76.91 -18.69 58.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 110.149 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.816 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -69.92 -30.85 68.36 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.165 -0.96 . . . . 0.0 110.501 -179.776 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 27' ' ' NH2 . 1.1 t60 -89.52 1.57 55.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.212 -0.93 . . . . 0.0 110.464 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -48.16 90.91 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.12 -0.988 . . . . 0.0 110.136 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . 0.511 ' N ' ' O ' ' A' ' 25' ' ' HIS . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.401 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -140.06 -38.08 0.46 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.199 -1.177 . . . . 0.0 110.482 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 3' ' ' PHE . 3.3 p90 -84.8 -21.99 29.71 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.24 -0.912 . . . . 0.0 110.155 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -56.98 -42.25 79.89 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.28 -0.888 . . . . 0.0 109.716 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 6' ' ' PHE . 4.8 ptm180 -60.62 -35.43 76.14 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.466 -0.771 . . . . 0.0 109.801 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.431 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 80.1 t80 -63.82 -47.54 80.42 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.449 -0.782 . . . . 0.0 109.812 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.82 -39.92 86.7 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.451 -0.781 . . . . 0.0 109.695 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -43.3 98.66 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.484 -0.76 . . . . 0.0 109.809 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -61.07 -47.17 87.55 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.434 -0.792 . . . . 0.0 109.24 179.533 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.542 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -64.73 -47.51 78.03 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.467 -0.771 . . . . 0.0 109.232 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -22.83 56.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.414 -0.804 . . . . 0.0 109.342 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -63.48 -44.08 95.44 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.437 -0.789 . . . . 0.0 110.208 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.542 HD21 ' CD1' ' A' ' 10' ' ' PHE . 1.3 pp -68.62 -30.36 69.06 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.129 -0.982 . . . . 0.0 109.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.524 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -73.32 -36.52 66.24 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.313 -0.867 . . . . 0.0 109.169 179.117 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -40.12 88.31 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.588 -0.695 . . . . 0.0 109.778 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -53.43 -36.86 62.01 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.333 -0.854 . . . . 0.0 108.869 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.579 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -60.52 -65.68 0.65 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.51 0.672 . . . . 0.0 109.193 178.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.86 72.78 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 122.016 -0.428 . . . . 0.0 111.195 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.579 ' CD ' ' O ' ' A' ' 17' ' ' LEU . 47.1 Cg_endo -69.64 -93.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.515 0 O-C-N 123.005 1.003 . . . . 0.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 20' ' ' VAL . 6.7 p -139.44 35.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.256 -0.902 . . . . 0.0 110.353 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.78 HG22 ' O ' ' A' ' 21' ' ' ILE . 2.8 mp 56.71 46.14 2.07 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 0.0 111.173 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.584 ' HD3' ' N ' ' A' ' 21' ' ' ILE . 51.0 Cg_endo -77.64 -19.38 12.9 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 O-C-N 123.555 1.292 . . . . 0.0 110.156 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -51.25 62.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.395 -0.816 . . . . 0.0 110.306 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.2 tt -52.42 -22.21 4.48 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.991 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -81.81 -28.28 33.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.36 -0.837 . . . . 0.0 110.212 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -90.31 -53.16 4.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 110.246 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.912 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.83 -72.72 0.57 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.19 -1.182 . . . . 0.0 110.296 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -50.35 -21.38 1.39 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.0 109.9 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -55.73 -26.62 46.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.454 -0.779 . . . . 0.0 109.952 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.561 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -63.37 -23.37 67.38 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.262 -0.899 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.561 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -66.74 -53.09 37.0 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.135 -0.978 . . . . 0.0 109.506 179.549 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -58.52 -34.88 71.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.35 -0.844 . . . . 0.0 109.256 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -33.8 70.13 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.575 -0.703 . . . . 0.0 109.959 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 1.3 tptt -60.54 -51.8 67.89 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.298 -0.876 . . . . 0.0 108.955 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.515 ' HA ' HD23 ' A' ' 13' ' ' LEU . 12.8 t80 -59.97 -26.53 66.08 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -24.35 66.71 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.47 -0.769 . . . . 0.0 109.518 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -63.61 -49.95 71.3 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.477 -0.764 . . . . 0.0 110.097 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.523 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 1.7 pp -57.04 -29.05 63.07 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.43 -0.794 . . . . 0.0 109.879 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -75.0 -42.5 57.35 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.358 -0.839 . . . . 0.0 109.226 179.369 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 1.4 tptp -60.73 -34.63 74.7 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.558 -0.714 . . . . 0.0 109.757 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -41.31 93.49 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.306 -0.871 . . . . 0.0 109.869 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.59 -33.85 69.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.458 -0.776 . . . . 0.0 110.305 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.21 137.09 31.22 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.293 -0.88 . . . . 0.0 110.342 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -73.78 -87.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 123.995 1.524 . . . . 0.0 110.593 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' A' ' 21' ' ' ILE . 42.7 t -113.89 7.34 7.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.179 -0.95 . . . . 0.0 110.343 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 21' ' ' ILE . 3.7 tt 25.13 57.72 0.39 Allowed Pre-proline 0 N--CA 1.505 2.298 0 O-C-N 122.127 -0.358 . . . . 0.0 111.814 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.54 ' HD3' ' N ' ' A' ' 21' ' ' ILE . 54.1 Cg_endo -87.2 -2.03 7.85 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 O-C-N 123.897 1.472 . . . . 0.0 110.307 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.78 -13.97 60.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.25 -0.907 . . . . 0.0 110.909 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 tp -58.01 -44.07 87.04 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.036 -1.04 . . . . 0.0 109.583 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -90.51 -38.66 13.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.537 -0.727 . . . . 0.0 110.141 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.22 164.49 18.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.407 -0.808 . . . . 0.0 110.116 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 119.761 -1.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.06 -147.03 0.29 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.348 -1.089 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.01 -22.02 2.1 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.174 -0.954 . . . . 0.0 109.451 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -68.11 -50.99 51.37 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.404 -0.81 . . . . 0.0 109.73 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -29.39 19.47 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.279 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 3.3 t80 -56.73 -40.41 75.69 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.57 -0.706 . . . . 0.0 109.403 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -64.55 -44.87 89.42 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.507 -0.746 . . . . 0.0 109.566 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -33.43 72.78 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.46 -0.775 . . . . 0.0 109.61 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -57.94 -45.18 87.0 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.357 -0.84 . . . . 0.0 109.287 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.9 t80 -58.2 -36.13 72.64 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.507 -0.745 . . . . 0.0 109.341 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -68.37 -17.85 64.34 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.2 -52.48 22.96 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.725 -0.609 . . . . 0.0 110.302 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 17' ' ' LEU . 2.6 pp -56.73 -26.99 58.43 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.63 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 1.1 t80 -71.31 -56.16 6.56 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.4 -0.813 . . . . 0.0 109.84 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -63.27 -23.02 67.24 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.483 -0.761 . . . . 0.0 109.9 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.64 -35.96 52.0 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.282 -0.886 . . . . 0.0 110.246 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 13' ' ' LEU . 20.2 mt -81.08 -17.4 50.18 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.429 -0.795 . . . . 0.0 110.727 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.578 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -63.67 -50.31 72.53 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.107 -0.996 . . . . 0.0 110.931 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 18' ' ' SER . 45.5 Cg_endo -73.03 -6.8 19.63 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 O-C-N 123.51 1.269 . . . . 0.0 111.047 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 17' ' ' LEU . 31.8 t -68.26 -3.83 2.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.061 -1.025 . . . . 0.0 110.53 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.803 ' O ' HG23 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -125.22 62.13 37.1 Favored Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 0.0 109.752 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 44.7 Cg_endo -71.31 -15.57 31.44 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 O-C-N 123.494 1.26 . . . . 0.0 110.089 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -21.28 3.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.413 -0.804 . . . . 0.0 109.761 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -35.79 71.97 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.47 -0.769 . . . . 0.0 109.942 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -90.5 -30.98 16.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.473 -0.767 . . . . 0.0 110.185 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.42 113.86 0.84 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.0 110.145 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.725 -1.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -23.95 67.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -1.143 . . . . 0.0 110.086 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -62.43 -10.44 11.55 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.279 -0.888 . . . . 0.0 110.029 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -47.64 -37.65 13.19 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.061 -1.024 . . . . 0.0 109.36 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -51.95 44.8 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.386 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.29 -30.08 62.03 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.55 -0.719 . . . . 0.0 109.481 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -57.79 -41.06 81.3 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.444 -0.785 . . . . 0.0 109.53 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -66.04 -53.88 32.91 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.474 -0.766 . . . . 0.0 109.093 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -57.34 -35.27 69.69 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.627 -0.671 . . . . 0.0 109.537 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -61.74 -43.71 98.33 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.482 -0.762 . . . . 0.0 109.682 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -63.43 -48.62 77.02 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.32 -0.862 . . . . 0.0 109.396 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.88 -40.98 90.54 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.636 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.67 -45.62 91.97 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.417 -0.802 . . . . 0.0 109.725 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.19 -42.15 89.26 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.475 -0.766 . . . . 0.0 109.532 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' CG ' ' HB3' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -62.96 -36.84 84.81 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.495 -0.753 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -65.34 -39.58 92.57 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.191 -0.943 . . . . 0.0 110.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -33.62 76.34 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.307 -0.871 . . . . 0.0 110.175 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.466 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 3.4 m -63.54 161.61 33.57 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.443 -0.786 . . . . 0.0 110.434 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.778 ' O ' HG12 ' A' ' 20' ' ' VAL . 43.7 Cg_endo -72.98 79.54 1.98 Allowed 'Trans proline' 0 C--N 1.303 -1.833 0 O-C-N 124.137 1.598 . . . . 0.0 110.657 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.778 HG12 ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER 53.28 46.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 CA-C-O 121.752 0.786 . . . . 0.0 111.733 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.73 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -97.1 -4.52 0.11 Allowed Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 120.927 -1.108 . . . . 0.0 112.958 179.025 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.73 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 50.2 Cg_endo -78.48 2.19 8.34 Favored 'Trans proline' 0 N--CA 1.482 0.821 0 N-CA-C 110.146 -0.752 . . . . 0.0 110.146 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 26' ' ' LEU . 37.8 mt -46.67 -35.81 6.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -0.943 . . . . 0.0 109.779 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.74 ' C ' HD23 ' A' ' 24' ' ' LEU . 5.7 tt -54.67 -37.03 65.24 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.5 -0.75 . . . . 0.0 109.743 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -18.09 25.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.536 -0.727 . . . . 0.0 110.276 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 59.3 tp -88.02 -53.4 4.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -0.839 . . . . 0.0 110.364 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.52 -23.3 4.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -1.161 . . . . 0.0 110.454 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -59.39 -13.48 8.58 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.278 -0.888 . . . . 0.0 110.723 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -31.01 64.83 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.119 -0.988 . . . . 0.0 110.521 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 ttp85 -62.88 -49.48 74.68 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.285 -0.884 . . . . 0.0 110.068 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -57.32 -35.58 70.04 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.641 -0.662 . . . . 0.0 109.824 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -58.78 -39.51 81.25 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.516 -0.74 . . . . 0.0 109.845 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -57.34 -41.62 80.41 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.351 -0.843 . . . . 0.0 109.404 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 13' ' ' LEU . 1.2 ttmm -56.66 -30.57 63.52 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.667 -0.646 . . . . 0.0 109.828 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 40.5 t80 -59.5 -51.28 70.53 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.284 -0.885 . . . . 0.0 108.739 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -65.41 -46.76 78.74 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.9 mptp? -61.54 -35.42 77.7 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.548 -0.72 . . . . 0.0 109.084 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 8.2 tp -56.16 -38.18 70.55 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.368 -0.833 . . . . 0.0 108.935 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -40.04 94.66 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.413 -0.804 . . . . 0.0 109.347 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 18' ' ' SER . 12.3 mttt -57.47 -30.58 65.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.428 -0.795 . . . . 0.0 109.808 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.19 -44.17 97.19 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.12 -0.988 . . . . 0.0 109.594 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -74.62 -24.4 58.85 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.597 -0.689 . . . . 0.0 110.92 -179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 6.4 m -43.5 167.91 0.07 OUTLIER Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.245 -0.909 . . . . 0.0 110.249 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.712 ' O ' HG22 ' A' ' 20' ' ' VAL . 38.6 Cg_endo -65.26 60.05 0.34 Allowed 'Trans proline' 0 C--N 1.304 -1.816 0 O-C-N 124.075 1.566 . . . . 0.0 110.12 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 19' ' ' PRO . 3.6 m 39.81 24.36 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.647 -0.658 . . . . 0.0 111.268 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.792 HG22 ' O ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -155.91 62.64 3.19 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 121.112 -0.993 . . . . 0.0 109.485 179.646 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 21' ' ' ILE . 48.8 Cg_endo -87.34 -17.51 2.88 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 121.022 1.148 . . . . 0.0 110.691 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 tp -75.78 -31.55 59.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.233 -0.917 . . . . 0.0 110.723 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.92 -24.76 39.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.289 -0.882 . . . . 0.0 110.451 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.73 -34.43 19.67 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.235 -0.915 . . . . 0.0 110.535 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 tt -89.69 -69.02 0.74 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.168 -0.957 . . . . 0.0 110.333 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.87 -1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -7.69 17.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.213 -1.169 . . . . 0.0 110.613 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -56.15 -30.49 62.24 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.207 -0.933 . . . . 0.0 110.221 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -47.6 -24.92 0.99 Allowed 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.292 -0.88 . . . . 0.0 109.012 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -55.54 -31.28 61.99 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.636 -0.665 . . . . 0.0 110.054 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.492 ' CG ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -57.18 -48.18 79.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.264 -0.897 . . . . 0.0 109.057 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' N ' ' CG ' ' A' ' 6' ' ' PHE . 53.9 ttt-85 -62.39 -43.25 99.26 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.619 -0.675 . . . . 0.0 109.612 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -28.66 64.45 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.458 -0.776 . . . . 0.0 109.664 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -54.55 20.65 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.244 -0.91 . . . . 0.0 109.655 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 4.2 m-30 -58.95 -39.66 82.34 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.448 -0.782 . . . . 0.0 109.009 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -50.48 68.65 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.459 -0.776 . . . . 0.0 109.075 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.77 -38.41 72.44 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.614 0.721 . . . . 0.0 109.224 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB3' ' O ' ' A' ' 10' ' ' PHE . 11.9 tp -56.69 -40.91 76.41 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.525 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 17.9 m-30 -71.26 -42.15 69.16 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.54 -34.22 75.17 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.386 -0.821 . . . . 0.0 109.421 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.99 -35.04 31.68 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.305 -0.872 . . . . 0.0 108.705 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.64 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 13.9 tp -50.11 -65.86 0.49 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.849 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t -95.48 85.99 0.31 Allowed Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 121.454 -0.779 . . . . 0.0 111.093 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.741 ' O ' HG23 ' A' ' 20' ' ' VAL . 47.3 Cg_endo -69.29 -11.45 31.48 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 O-C-N 123.169 1.089 . . . . 0.0 110.857 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER 167.65 -20.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.317 -0.865 . . . . 0.0 110.524 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.816 HG23 ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER 91.81 64.94 0.03 OUTLIER Pre-proline 0 N--CA 1.51 2.548 0 CA-C-O 122.277 1.036 . . . . 0.0 110.4 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.45 -17.19 30.59 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 121.107 1.205 . . . . 0.0 110.623 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -68.02 -9.4 45.48 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.191 -0.943 . . . . 0.0 109.889 179.782 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.44 -39.81 80.85 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.374 -0.829 . . . . 0.0 109.984 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.11 -36.37 14.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.46 -0.775 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 17.3 tp -61.41 102.75 0.25 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.277 -0.889 . . . . 0.0 110.29 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 9.2 mtt180 -92.01 13.64 18.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -1.161 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -63.69 -52.03 62.44 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.13 -0.982 . . . . 0.0 109.687 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -30.47 63.91 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.489 -0.757 . . . . 0.0 109.663 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.4 ' HG3' ' HA ' ' A' ' 2' ' ' ARG . 9.1 mmt180 -66.23 -48.71 69.68 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.397 -0.814 . . . . 0.0 110.206 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -58.84 -34.0 71.06 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.419 -0.801 . . . . 0.0 110.025 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.37 -42.6 99.53 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.436 -0.79 . . . . 0.0 110.237 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.68 94.64 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 109.862 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -61.46 -37.91 85.32 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.405 -0.809 . . . . 0.0 110.251 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -59.29 -34.6 72.48 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.305 -0.872 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -46.22 91.44 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.158 -0.964 . . . . 0.0 109.858 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -58.01 -35.3 71.06 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.468 -0.77 . . . . 0.0 109.841 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -59.95 -30.67 69.24 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.516 -0.74 . . . . 0.0 110.152 -179.794 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 15.4 m-85 -67.06 -49.06 66.35 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.148 -0.97 . . . . 0.0 110.255 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -39.73 76.89 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 109.464 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -26.35 14.52 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.472 -0.767 . . . . 0.0 109.385 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.512 ' HB3' ' O ' ' A' ' 14' ' ' PHE . 53.7 tp -58.12 -51.41 69.84 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.483 -0.761 . . . . 0.0 111.291 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.81 110.75 41.9 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.241 -0.912 . . . . 0.0 110.821 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.597 ' O ' HG13 ' A' ' 20' ' ' VAL . 50.7 Cg_endo -85.61 -85.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.966 1.508 . . . . 0.0 110.255 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 19' ' ' PRO . 18.1 m -157.45 26.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.448 -0.782 . . . . 0.0 109.611 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.72 HG22 ' HD3' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -79.32 -26.99 0.49 Allowed Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.539 -0.725 . . . . 0.0 112.173 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.72 ' HD3' HG22 ' A' ' 21' ' ' ILE . 51.0 Cg_endo -79.89 -2.73 12.34 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 O-C-N 122.739 0.862 . . . . 0.0 110.804 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.52 -22.39 23.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.114 -0.991 . . . . 0.0 110.412 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.52 -34.84 76.21 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.204 -0.935 . . . . 0.0 110.432 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -44.06 10.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.261 -0.899 . . . . 0.0 110.463 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -155.33 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.332 -0.855 . . . . 0.0 110.326 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 ttp85 -125.76 -25.32 3.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -1.125 . . . . 0.0 110.342 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 1.2 m-85 -81.79 -31.79 31.65 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.309 -0.869 . . . . 0.0 110.336 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -37.05 75.64 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.369 -0.832 . . . . 0.0 110.432 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -35.0 70.77 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 110.105 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.472 ' CD2' ' HA ' ' A' ' 3' ' ' PHE . 13.5 m-85 -58.45 -36.14 73.23 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.4 -0.812 . . . . 0.0 110.265 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -63.61 -52.73 59.61 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.202 -0.937 . . . . 0.0 109.343 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.96 -43.28 99.17 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.505 -0.747 . . . . 0.0 109.001 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -58.69 -26.61 64.03 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.585 -0.697 . . . . 0.0 109.624 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.818 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -63.42 -47.4 82.09 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.426 -0.797 . . . . 0.0 110.037 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -60.39 -44.64 95.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.465 -0.772 . . . . 0.0 109.474 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -39.51 83.03 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.542 -0.724 . . . . 0.0 109.866 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.818 HD23 ' HA ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.08 -35.46 75.22 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.414 -0.804 . . . . 0.0 110.144 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 2.3 m-85 -69.51 -31.94 70.49 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.235 -0.916 . . . . 0.0 109.332 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 18' ' ' SER . 0.0 OUTLIER -65.97 -49.67 67.02 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.562 -0.711 . . . . 0.0 109.749 179.58 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' O ' HD13 ' A' ' 21' ' ' ILE . 16.5 tttt -67.5 -39.41 85.18 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.403 -0.811 . . . . 0.0 109.415 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.674 HD12 HD12 ' A' ' 13' ' ' LEU . 17.9 mt -90.21 7.43 38.19 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.606 -0.684 . . . . 0.0 110.589 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.607 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -75.54 -42.94 4.08 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.342 -0.849 . . . . 0.0 111.935 -179.476 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 18' ' ' SER . 43.1 Cg_endo -73.15 94.03 0.82 Allowed 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.338 1.178 . . . . 0.0 111.955 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 19' ' ' PRO . 18.2 m 27.23 69.77 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 CA-C-O 121.22 0.534 . . . . 0.0 111.862 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.581 ' CG1' ' HD2' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -111.73 171.32 4.43 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.205 -0.934 . . . . 0.0 109.286 179.701 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.581 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 37.5 Cg_endo -62.32 -36.32 68.17 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.375 1.197 . . . . 0.0 111.489 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.773 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -44.89 -33.33 1.92 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.978 -1.076 . . . . 0.0 109.308 179.497 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.773 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.14 -32.44 68.16 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.51 -0.744 . . . . 0.0 110.11 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.679 ' N ' HD23 ' A' ' 24' ' ' LEU . 17.0 t-80 -61.46 -30.16 70.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.327 -0.858 . . . . 0.0 110.656 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.21 141.9 43.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.1 -1.0 . . . . 0.0 110.231 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' O ' ' HD2' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' O ' ' HD3' ' A' ' 4' ' ' LYS . 1.4 mtt180 -95.82 -25.11 16.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.145 -1.209 . . . . 0.0 110.135 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -58.0 -18.42 23.91 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.25 -0.906 . . . . 0.0 109.989 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -50.91 -22.21 2.11 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.284 -0.885 . . . . 0.0 109.084 179.676 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -56.44 -35.06 67.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.577 -0.702 . . . . 0.0 109.366 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.01 -41.69 83.63 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.487 -0.758 . . . . 0.0 109.431 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -62.52 -48.52 79.2 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.41 -43.39 98.95 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.531 -0.73 . . . . 0.0 109.253 179.06 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -62.49 -46.0 90.45 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.498 -0.751 . . . . 0.0 109.367 179.342 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 1.018 ' O ' HD23 ' A' ' 13' ' ' LEU . 81.1 t80 -64.74 -43.75 92.35 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.41 -0.807 . . . . 0.0 109.253 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.5 tptp -60.33 -23.93 64.62 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.245 -0.909 . . . . 0.0 109.365 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 82.3 tttt -69.43 -56.13 8.32 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.395 -0.815 . . . . 0.0 109.799 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.018 HD23 ' O ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -67.85 -34.08 76.02 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.985 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -67.51 -27.99 67.45 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.379 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -60.0 -42.28 93.92 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -56.88 -42.66 80.22 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.285 -0.885 . . . . 0.0 109.209 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.637 ' N ' HD22 ' A' ' 17' ' ' LEU . 4.3 mm? -75.47 -55.12 5.99 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.858 0.837 . . . . 0.0 110.063 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.472 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 36.3 p -45.95 105.32 0.46 Allowed Pre-proline 0 N--CA 1.492 1.652 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.462 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 21' ' ' ILE . 49.8 Cg_endo -78.8 126.11 7.1 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 O-C-N 124.002 1.527 . . . . 0.0 110.345 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 20' ' ' VAL . 2.9 p 35.13 28.76 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.873 -0.517 . . . . 0.0 111.572 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -100.05 -36.93 0.23 Allowed Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.959 -1.088 . . . . 0.0 112.308 -179.273 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 48.9 Cg_endo -78.18 -10.6 16.38 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 O-C-N 122.95 0.974 . . . . 0.0 111.305 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -45.77 -25.49 0.51 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.001 -1.062 . . . . 0.0 110.518 -179.734 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -26.33 57.56 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.12 -0.987 . . . . 0.0 111.045 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.61 -29.14 26.02 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.121 -0.987 . . . . 0.0 110.435 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mp -79.89 158.86 26.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.175 -0.953 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.427 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.27 11.34 21.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.333 -1.098 . . . . 0.0 110.094 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -22.85 45.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.347 -0.845 . . . . 0.0 110.128 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.01 -23.17 1.89 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.204 -0.935 . . . . 0.0 109.564 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.09 78.47 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.409 -0.807 . . . . 0.0 109.459 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -60.0 -44.19 94.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.574 -0.704 . . . . 0.0 109.518 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.44 -23.55 10.33 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.266 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -59.36 -46.83 87.55 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.328 -0.857 . . . . 0.0 109.375 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -60.68 -36.18 78.11 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.539 -0.725 . . . . 0.0 109.354 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -55.23 -45.46 76.0 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.368 -0.833 . . . . 0.0 108.763 179.187 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -61.55 -45.3 94.73 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.754 0.788 . . . . 0.0 109.02 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -38.85 75.34 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.6 -0.687 . . . . 0.0 109.371 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -51.78 -41.4 61.62 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.301 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -64.63 -51.25 63.59 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -59.45 -34.96 73.17 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.569 0.7 . . . . 0.0 109.735 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -43.26 99.02 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.38 -0.825 . . . . 0.0 110.154 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 12.8 tp -77.06 -29.79 55.26 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.417 -0.802 . . . . 0.0 110.358 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -41.77 100.54 0.22 Allowed Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.366 -0.834 . . . . 0.0 110.658 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 17' ' ' LEU . 48.1 Cg_endo -84.58 -160.55 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.025 1.539 . . . . 0.0 110.207 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.718 ' O ' HG22 ' A' ' 20' ' ' VAL . 6.9 p -76.15 51.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.202 -0.936 . . . . 0.0 110.38 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.563 HG22 ' C ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER 36.48 95.64 0.04 OUTLIER Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 121.593 -0.692 . . . . 0.0 110.863 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.442 ' HD3' ' HG2' ' A' ' 19' ' ' PRO . 43.2 Cg_endo -70.96 -4.91 15.79 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 124.106 1.582 . . . . 0.0 109.092 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tp -77.98 -20.62 52.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.537 -0.727 . . . . 0.0 109.782 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -56.19 -29.47 60.94 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.32 -0.862 . . . . 0.0 110.065 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -86.08 -47.83 9.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.387 -0.821 . . . . 0.0 109.751 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -178.94 3.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 0.0 110.306 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.883 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.381 0.61 . . . . 0.0 109.775 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -60.62 -37.89 82.93 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.366 -0.834 . . . . 0.0 109.377 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -59.53 -37.25 77.87 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.58 -0.7 . . . . 0.0 109.935 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.82 -44.93 96.26 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.43 -0.794 . . . . 0.0 109.75 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -37.75 78.66 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.533 -0.729 . . . . 0.0 109.949 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 21.6 tttt -65.39 -48.45 72.85 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.447 -0.783 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -36.29 81.09 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.294 -0.879 . . . . 0.0 109.832 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 1.2 tppp? -59.95 -35.36 74.78 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.431 -0.793 . . . . 0.0 110.057 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.709 ' CG ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -58.57 -36.2 73.56 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.289 -0.882 . . . . 0.0 109.668 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.709 HD23 ' CG ' ' A' ' 12' ' ' LYS . 5.4 mt -69.78 -43.68 71.67 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.357 -0.839 . . . . 0.0 109.036 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -58.2 -39.13 78.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 110.034 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -59.63 -43.53 93.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.417 -0.802 . . . . 0.0 109.765 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.3 -1.557 0 O-C-N 121.496 -0.753 . . . . 0.0 110.104 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 mttp . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 121.643 0.735 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -31.68 68.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.574 -0.704 . . . . 0.0 110.053 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.73 -45.46 92.11 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.315 -0.866 . . . . 0.0 109.565 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -60.05 -38.81 83.88 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.488 -0.757 . . . . 0.0 109.651 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -39.64 83.9 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.493 -0.755 . . . . 0.0 109.813 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -50.0 71.86 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.479 -0.763 . . . . 0.0 109.687 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -37.95 73.6 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.496 -0.752 . . . . 0.0 109.079 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -62.67 -44.16 96.96 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.552 -0.718 . . . . 0.0 109.775 179.505 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -58.37 -46.92 85.38 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.404 -0.81 . . . . 0.0 109.357 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.93 -50.44 68.68 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.05 -34.96 74.11 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.597 -0.689 . . . . 0.0 109.547 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 7.8 mtmt -65.85 -48.42 71.68 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.354 -0.841 . . . . 0.0 109.941 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.496 0 O-C-N 121.372 -0.83 . . . . 0.0 109.801 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 121.319 0.58 . . . . 0.0 109.854 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -56.1 -21.59 23.12 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.379 -0.826 . . . . 0.0 109.31 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.499 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 2.1 t80 -64.67 -43.4 93.7 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.343 0.592 . . . . 0.0 110.309 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -62.39 -48.34 80.15 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.239 -0.913 . . . . 0.0 109.491 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -38.23 72.47 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.533 -0.73 . . . . 0.0 109.476 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -59.15 -47.38 85.52 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.557 0.694 . . . . 0.0 109.49 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -38.41 75.88 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.621 0.724 . . . . 0.0 109.315 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 12' ' ' LYS . 6.3 tptm -62.28 -51.7 66.64 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 24.0 mttt -63.27 -43.08 98.96 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.476 -0.765 . . . . 0.0 109.455 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.416 HD12 ' NZ ' ' A' ' 16' ' ' LYS . 32.4 tp -60.25 -36.22 77.27 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.543 -0.723 . . . . 0.0 110.116 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -37.78 82.36 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.285 -0.884 . . . . 0.0 110.189 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.46 -50.98 40.44 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.225 -0.922 . . . . 0.0 109.757 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' NZ ' HD12 ' A' ' 13' ' ' LEU . 2.2 ttpm? . . . . . 0 C--N 1.299 -1.599 0 O-C-N 121.378 -0.826 . . . . 0.0 109.511 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mptt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 121.348 0.594 . . . . 0.0 109.751 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -59.35 -32.32 70.0 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.43 -0.794 . . . . 0.0 110.15 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -41.64 68.26 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.103 -0.998 . . . . 0.0 108.821 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.4 ttp180 -62.42 -40.89 98.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.554 -0.716 . . . . 0.0 109.362 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -64.16 -47.73 78.76 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.487 -0.758 . . . . 0.0 109.541 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -32.85 67.81 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.455 -0.778 . . . . 0.0 109.93 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 2.0 t80 -58.03 -40.48 80.99 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.364 -0.835 . . . . 0.0 109.312 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.23 -51.27 66.9 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.314 -0.866 . . . . 0.0 109.042 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 16.3 mmtm -61.06 -45.36 95.09 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.564 -0.71 . . . . 0.0 109.308 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.5 tp -61.58 -38.67 88.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.569 -0.707 . . . . 0.0 109.448 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 11.8 t80 -56.34 -31.68 63.97 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.564 -0.71 . . . . 0.0 109.777 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 6.2 tptp -70.0 -60.6 2.2 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.285 -0.884 . . . . 0.0 109.267 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm . . . . . 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.459 0.647 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -41.57 92.82 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.5 -0.75 . . . . 0.0 109.986 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -57.68 -31.78 66.69 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.427 -0.796 . . . . 0.0 110.092 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -62.72 -50.27 71.76 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.338 -0.851 . . . . 0.0 109.345 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 16.0 mtpt -63.26 -47.82 80.78 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.399 -0.813 . . . . 0.0 109.336 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 mmtp -57.85 -32.32 67.53 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.562 -0.711 . . . . 0.0 109.551 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.524 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 2.7 t80 -59.01 -33.01 70.24 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.48 -0.763 . . . . 0.0 110.109 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -47.37 84.42 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.329 -0.857 . . . . 0.0 109.778 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -29.17 64.48 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.461 -0.774 . . . . 0.0 109.805 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.637 HD23 ' N ' ' A' ' 13' ' ' LEU . 3.6 mt -66.76 -42.79 85.55 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.394 -0.816 . . . . 0.0 109.181 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.91 -39.26 53.96 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.63 0.728 . . . . 0.0 109.204 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.17 -47.71 76.05 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.331 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp . . . . . 0 C--N 1.302 -1.468 0 O-C-N 121.406 -0.809 . . . . 0.0 109.512 179.346 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 121.437 0.637 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.2 tpt85 -54.57 -26.03 29.77 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.509 -0.745 . . . . 0.0 109.666 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -58.94 -44.81 91.45 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.437 -0.79 . . . . 0.0 109.097 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -52.9 56.3 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -29.14 61.49 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.483 0.658 . . . . 0.0 109.541 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -44.05 97.65 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.313 -0.867 . . . . 0.0 109.93 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -53.67 -40.58 66.04 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.39 -0.819 . . . . 0.0 108.914 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.0 -48.08 80.36 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.517 0.675 . . . . 0.0 109.359 179.264 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -65.04 -43.61 91.8 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.336 -0.853 . . . . 0.0 109.009 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.632 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.0 tp -57.49 -35.61 70.43 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.596 -0.69 . . . . 0.0 109.551 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 3.5 t80 -58.31 -40.51 82.21 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.401 -0.812 . . . . 0.0 109.916 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -36.59 78.81 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.356 -0.84 . . . . 0.0 109.885 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.406 0 O-C-N 121.5 -0.75 . . . . 0.0 110.133 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.432 0.634 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -59.46 -32.7 70.47 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.41 -0.806 . . . . 0.0 109.826 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 3.3 m-30 -56.38 -40.28 74.33 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.198 -0.939 . . . . 0.0 109.342 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 7' ' ' ARG . 9.2 tpp180 -64.9 -54.14 35.53 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -23.19 31.49 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 1.4 tttt -61.34 -46.87 88.42 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.634 -0.666 . . . . 0.0 109.487 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.73 -39.8 65.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.241 -0.912 . . . . 0.0 108.756 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -53.94 -36.49 62.86 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 5.5 tttt -61.24 -37.41 82.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.651 -0.656 . . . . 0.0 109.76 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.609 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -54.05 -37.04 63.72 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.325 -0.859 . . . . 0.0 109.183 179.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.552 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.24 -46.47 90.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.408 -0.807 . . . . 0.0 108.977 179.243 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -69.59 -38.31 77.29 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 18.8 mmtt . . . . . 0 C--N 1.302 -1.481 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.8 mttp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.356 0.598 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -28.58 69.97 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.478 -0.764 . . . . 0.0 109.979 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.454 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 15.5 m-85 -59.38 -43.69 92.85 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.259 -0.9 . . . . 0.0 109.424 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.0 mmt180 -63.79 -51.19 65.92 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.588 -0.845 . . . . 0.0 108.908 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 24.4 mmtm -55.97 -17.93 7.95 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.371 -0.831 . . . . 0.0 109.502 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 10' ' ' PHE . 3.3 pttt -68.46 -44.36 75.0 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.347 -0.846 . . . . 0.0 110.119 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -64.07 -27.83 69.37 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.136 -0.977 . . . . 0.0 109.14 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 17.5 mttp -64.79 -48.48 74.3 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.465 -0.772 . . . . 0.0 109.935 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -34.49 70.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.449 -0.782 . . . . 0.0 109.937 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.536 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -59.81 -36.07 76.01 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.303 -0.873 . . . . 0.0 109.656 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.536 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 11.8 m-85 -67.34 -51.17 55.64 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.277 -0.889 . . . . 0.0 109.761 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -57.2 -30.54 64.62 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.499 -0.751 . . . . 0.0 109.761 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 13' ' ' LEU . 1.4 mtmt . . . . . 0 C--N 1.302 -1.483 0 O-C-N 121.379 -0.825 . . . . 0.0 109.957 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mttt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.409 0.623 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -39.12 82.59 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.308 -0.87 . . . . 0.0 110.196 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -64.61 -52.28 58.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.413 -0.804 . . . . 0.0 109.45 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.494 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 2.9 tpp180 -58.82 -28.11 65.72 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.564 -0.71 . . . . 0.0 109.35 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -64.59 -47.39 78.84 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.25 -0.906 . . . . 0.0 110.07 179.725 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -34.96 64.65 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.317 -0.865 . . . . 0.0 109.784 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.494 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -55.65 -38.69 69.9 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.471 -0.768 . . . . 0.0 109.356 179.553 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' CG ' ' N ' ' A' ' 12' ' ' LYS . 22.5 pttt -60.0 -42.31 93.99 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.385 -0.822 . . . . 0.0 109.47 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.96 -41.97 90.51 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.25 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -58.43 -46.27 86.84 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -59.12 -37.4 77.12 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.8 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -32.04 73.39 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.202 -0.937 . . . . 0.0 109.583 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.307 -1.271 0 O-C-N 121.358 -0.839 . . . . 0.0 108.745 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 121.394 0.616 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -58.6 -43.41 89.55 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.253 -0.904 . . . . 0.0 109.604 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -52.34 61.6 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.606 0.717 . . . . 0.0 109.357 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.31 -32.87 71.63 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 1.5 tppp? -59.09 -37.57 77.43 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.477 -0.764 . . . . 0.0 109.413 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -65.19 -38.4 90.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -66.22 -48.81 69.38 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.636 -0.665 . . . . 0.0 109.635 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -60.61 -26.67 67.18 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.299 -0.875 . . . . 0.0 109.443 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -66.76 -32.69 74.15 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.506 -0.746 . . . . 0.0 109.807 179.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.647 HD23 ' N ' ' A' ' 13' ' ' LEU . 3.7 mt -65.6 -46.2 80.28 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.812 0.815 . . . . 0.0 109.231 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -41.96 67.25 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.662 0.744 . . . . 0.0 109.534 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.46 -43.47 98.82 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.487 0.66 . . . . 0.0 110.171 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.301 -1.516 0 O-C-N 121.552 -0.717 . . . . 0.0 110.743 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttm . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 121.58 0.705 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 6' ' ' PHE . 4.8 ptm180 -60.62 -35.43 76.14 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.466 -0.771 . . . . 0.0 109.801 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.431 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 80.1 t80 -63.82 -47.54 80.42 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.449 -0.782 . . . . 0.0 109.812 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.82 -39.92 86.7 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.451 -0.781 . . . . 0.0 109.695 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -43.3 98.66 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.484 -0.76 . . . . 0.0 109.809 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -61.07 -47.17 87.55 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.434 -0.792 . . . . 0.0 109.24 179.533 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.542 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -64.73 -47.51 78.03 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.467 -0.771 . . . . 0.0 109.232 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -22.83 56.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.414 -0.804 . . . . 0.0 109.342 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -63.48 -44.08 95.44 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.437 -0.789 . . . . 0.0 110.208 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.542 HD21 ' CD1' ' A' ' 10' ' ' PHE . 1.3 pp -68.62 -30.36 69.06 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.129 -0.982 . . . . 0.0 109.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.524 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -73.32 -36.52 66.24 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.313 -0.867 . . . . 0.0 109.169 179.117 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -40.12 88.31 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.588 -0.695 . . . . 0.0 109.778 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.304 -1.377 0 O-C-N 121.333 -0.854 . . . . 0.0 108.869 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 tptm . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 121.349 0.595 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.561 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -63.37 -23.37 67.38 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.262 -0.899 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.561 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -66.74 -53.09 37.0 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.135 -0.978 . . . . 0.0 109.506 179.549 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -58.52 -34.88 71.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.35 -0.844 . . . . 0.0 109.256 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -33.8 70.13 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.575 -0.703 . . . . 0.0 109.959 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 1.3 tptt -60.54 -51.8 67.89 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.298 -0.876 . . . . 0.0 108.955 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.515 ' HA ' HD23 ' A' ' 13' ' ' LEU . 12.8 t80 -59.97 -26.53 66.08 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -24.35 66.71 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.47 -0.769 . . . . 0.0 109.518 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -63.61 -49.95 71.3 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.477 -0.764 . . . . 0.0 110.097 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.523 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 1.7 pp -57.04 -29.05 63.07 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.43 -0.794 . . . . 0.0 109.879 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.523 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -75.0 -42.5 57.35 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.358 -0.839 . . . . 0.0 109.226 179.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 1.4 tptp -60.73 -34.63 74.7 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.558 -0.714 . . . . 0.0 109.757 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.305 -1.328 0 O-C-N 121.306 -0.871 . . . . 0.0 109.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 121.405 0.621 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -29.39 19.47 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.279 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 3.3 t80 -56.73 -40.41 75.69 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.57 -0.706 . . . . 0.0 109.403 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -64.55 -44.87 89.42 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.507 -0.746 . . . . 0.0 109.566 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -33.43 72.78 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.46 -0.775 . . . . 0.0 109.61 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -57.94 -45.18 87.0 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.357 -0.84 . . . . 0.0 109.287 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HA ' HD23 ' A' ' 13' ' ' LEU . 7.9 t80 -58.2 -36.13 72.64 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.507 -0.745 . . . . 0.0 109.341 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -68.37 -17.85 64.34 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.2 -52.48 22.96 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.725 -0.609 . . . . 0.0 110.302 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' A' ' 10' ' ' PHE . 2.6 pp -56.73 -26.99 58.43 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.63 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 1.1 t80 -71.31 -56.16 6.56 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.4 -0.813 . . . . 0.0 109.84 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.27 -23.02 67.24 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.483 -0.761 . . . . 0.0 109.9 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.305 0 O-C-N 121.282 -0.886 . . . . 0.0 110.246 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 tttt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 121.571 0.701 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -51.95 44.8 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.386 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.29 -30.08 62.03 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.55 -0.719 . . . . 0.0 109.481 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -57.79 -41.06 81.3 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.444 -0.785 . . . . 0.0 109.53 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -66.04 -53.88 32.91 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.474 -0.766 . . . . 0.0 109.093 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -57.34 -35.27 69.69 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.627 -0.671 . . . . 0.0 109.537 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -61.74 -43.71 98.33 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.482 -0.762 . . . . 0.0 109.682 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -63.43 -48.62 77.02 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.32 -0.862 . . . . 0.0 109.396 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.88 -40.98 90.54 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.636 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.67 -45.62 91.97 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.417 -0.802 . . . . 0.0 109.725 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.19 -42.15 89.26 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.475 -0.766 . . . . 0.0 109.532 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.96 -36.84 84.81 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.495 -0.753 . . . . 0.0 110.256 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tttm . . . . . 0 C--N 1.306 -1.307 0 O-C-N 121.191 -0.943 . . . . 0.0 110.113 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 121.237 0.541 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 ttp85 -62.88 -49.48 74.68 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.285 -0.884 . . . . 0.0 110.068 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -57.32 -35.58 70.04 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.641 -0.662 . . . . 0.0 109.824 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -58.78 -39.51 81.25 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.516 -0.74 . . . . 0.0 109.845 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -57.34 -41.62 80.41 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.351 -0.843 . . . . 0.0 109.404 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 13' ' ' LEU . 1.2 ttmm -56.66 -30.57 63.52 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.667 -0.646 . . . . 0.0 109.828 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 40.5 t80 -59.5 -51.28 70.53 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.284 -0.885 . . . . 0.0 108.739 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -65.41 -46.76 78.74 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.9 mptp? -61.54 -35.42 77.7 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.548 -0.72 . . . . 0.0 109.084 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 8.2 tp -56.16 -38.18 70.55 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.368 -0.833 . . . . 0.0 108.935 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -40.04 94.66 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.413 -0.804 . . . . 0.0 109.347 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 12.3 mttt -57.47 -30.58 65.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.428 -0.795 . . . . 0.0 109.808 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.445 0 O-C-N 121.12 -0.988 . . . . 0.0 109.594 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.7 mttt . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -55.54 -31.28 61.99 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.636 -0.665 . . . . 0.0 110.054 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.492 ' CG ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -57.18 -48.18 79.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.264 -0.897 . . . . 0.0 109.057 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.492 ' N ' ' CG ' ' A' ' 6' ' ' PHE . 53.9 ttt-85 -62.39 -43.25 99.26 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.619 -0.675 . . . . 0.0 109.612 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -28.66 64.45 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.458 -0.776 . . . . 0.0 109.664 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -54.55 20.65 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.244 -0.91 . . . . 0.0 109.655 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 4.2 m-30 -58.95 -39.66 82.34 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.448 -0.782 . . . . 0.0 109.009 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -50.48 68.65 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.459 -0.776 . . . . 0.0 109.075 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.77 -38.41 72.44 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.614 0.721 . . . . 0.0 109.224 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB3' ' O ' ' A' ' 10' ' ' PHE . 11.9 tp -56.69 -40.91 76.41 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -71.26 -42.15 69.16 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.54 -34.22 75.17 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.386 -0.821 . . . . 0.0 109.421 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.304 -1.375 0 O-C-N 121.305 -0.872 . . . . 0.0 108.705 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.484 1.241 0 CA-C-O 121.449 0.642 . . . . 0.0 109.663 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -66.23 -48.71 69.68 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.397 -0.814 . . . . 0.0 110.206 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -58.84 -34.0 71.06 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.419 -0.801 . . . . 0.0 110.025 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.37 -42.6 99.53 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.436 -0.79 . . . . 0.0 110.237 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.68 94.64 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 109.862 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -61.46 -37.91 85.32 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.405 -0.809 . . . . 0.0 110.251 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -59.29 -34.6 72.48 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.305 -0.872 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -46.22 91.44 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.158 -0.964 . . . . 0.0 109.858 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -58.01 -35.3 71.06 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.468 -0.77 . . . . 0.0 109.841 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -59.95 -30.67 69.24 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.516 -0.74 . . . . 0.0 110.152 -179.794 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -67.06 -49.06 66.35 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.148 -0.97 . . . . 0.0 110.255 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -39.73 76.89 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 109.464 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.302 -1.489 0 O-C-N 121.472 -0.767 . . . . 0.0 109.385 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 121.404 0.621 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -35.0 70.77 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 110.105 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.45 -36.14 73.23 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.4 -0.812 . . . . 0.0 110.265 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -63.61 -52.73 59.61 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.202 -0.937 . . . . 0.0 109.343 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.96 -43.28 99.17 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.505 -0.747 . . . . 0.0 109.001 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -58.69 -26.61 64.03 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.585 -0.697 . . . . 0.0 109.624 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.818 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -63.42 -47.4 82.09 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.426 -0.797 . . . . 0.0 110.037 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -60.39 -44.64 95.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.465 -0.772 . . . . 0.0 109.474 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -39.51 83.03 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.542 -0.724 . . . . 0.0 109.866 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.818 HD23 ' HA ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.08 -35.46 75.22 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.414 -0.804 . . . . 0.0 110.144 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.595 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 2.3 m-85 -69.51 -31.94 70.49 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.235 -0.916 . . . . 0.0 109.332 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -49.67 67.02 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.562 -0.711 . . . . 0.0 109.749 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 tttt . . . . . 0 C--N 1.301 -1.531 0 O-C-N 121.403 -0.811 . . . . 0.0 109.415 179.546 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -56.44 -35.06 67.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.577 -0.702 . . . . 0.0 109.366 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.01 -41.69 83.63 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.487 -0.758 . . . . 0.0 109.431 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -62.52 -48.52 79.2 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.41 -43.39 98.95 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.531 -0.73 . . . . 0.0 109.253 179.06 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -62.49 -46.0 90.45 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.498 -0.751 . . . . 0.0 109.367 179.342 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 1.018 ' O ' HD23 ' A' ' 13' ' ' LEU . 81.1 t80 -64.74 -43.75 92.35 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.41 -0.807 . . . . 0.0 109.253 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.5 tptp -60.33 -23.93 64.62 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.245 -0.909 . . . . 0.0 109.365 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 82.3 tttt -69.43 -56.13 8.32 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.395 -0.815 . . . . 0.0 109.799 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.018 HD23 ' O ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -67.85 -34.08 76.02 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.985 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -67.51 -27.99 67.45 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.379 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -60.0 -42.28 93.92 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? . . . . . 0 C--N 1.302 -1.479 0 O-C-N 121.285 -0.885 . . . . 0.0 109.209 179.463 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 121.486 0.66 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.09 78.47 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.409 -0.807 . . . . 0.0 109.459 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -60.0 -44.19 94.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.574 -0.704 . . . . 0.0 109.518 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.44 -23.55 10.33 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.266 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -59.36 -46.83 87.55 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.328 -0.857 . . . . 0.0 109.375 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -60.68 -36.18 78.11 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.539 -0.725 . . . . 0.0 109.354 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -55.23 -45.46 76.0 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.368 -0.833 . . . . 0.0 108.763 179.187 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -61.55 -45.3 94.73 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.754 0.788 . . . . 0.0 109.02 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -38.85 75.34 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.6 -0.687 . . . . 0.0 109.371 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -51.78 -41.4 61.62 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.301 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -64.63 -51.25 63.59 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -59.45 -34.96 73.17 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.569 0.7 . . . . 0.0 109.735 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.304 -1.406 0 O-C-N 121.38 -0.825 . . . . 0.0 110.154 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.455 ' CD ' ' N ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -139.6 -104.62 0.16 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.227 -1.161 . . . . 0.0 110.226 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.518 ' CE1' ' HG2' ' A' ' 4' ' ' LYS . 6.2 p90 -57.05 -28.2 62.35 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.798 -1.189 . . . . 0.0 110.174 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.518 ' HG2' ' CE1' ' A' ' 3' ' ' PHE . 19.9 mmmt -68.04 -53.8 23.09 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.238 -0.914 . . . . 0.0 109.775 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -60.62 -37.89 82.93 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.366 -0.834 . . . . 0.0 109.377 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -59.53 -37.25 77.87 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.58 -0.7 . . . . 0.0 109.935 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -60.82 -44.93 96.26 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.43 -0.794 . . . . 0.0 109.75 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.35 -37.75 78.66 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.533 -0.729 . . . . 0.0 109.949 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 21.6 tttt -65.39 -48.45 72.85 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.447 -0.783 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -36.29 81.09 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.294 -0.879 . . . . 0.0 109.832 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 1.2 tppp? -59.95 -35.36 74.78 Favored 'General case' 0 C--N 1.306 -1.314 0 O-C-N 121.431 -0.793 . . . . 0.0 110.057 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.709 ' CG ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -58.57 -36.2 73.56 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.289 -0.882 . . . . 0.0 109.668 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.709 HD23 ' CG ' ' A' ' 12' ' ' LYS . 5.4 mt -69.78 -43.68 71.67 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.357 -0.839 . . . . 0.0 109.036 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -58.2 -39.13 78.2 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 110.034 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -59.63 -43.53 93.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.417 -0.802 . . . . 0.0 109.765 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.67 -29.82 62.72 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.496 -0.753 . . . . 0.0 110.104 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.95 -40.9 97.5 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.47 -0.769 . . . . 0.0 110.929 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.04 143.09 73.38 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.237 -0.915 . . . . 0.0 110.406 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' VAL . 48.1 Cg_endo -74.8 57.24 4.37 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.97 1.511 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' PRO . 13.7 t 43.67 45.26 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.236 -0.915 . . . . 0.0 109.854 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 21' ' ' ILE . 3.9 tp -121.0 104.41 41.52 Favored Pre-proline 0 N--CA 1.488 1.468 0 O-C-N 121.345 -0.847 . . . . 0.0 109.778 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.47 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 42.7 Cg_endo -69.71 -7.66 21.62 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 O-C-N 123.908 1.478 . . . . 0.0 110.037 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 -52.03 10.97 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.356 -0.84 . . . . 0.0 109.752 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -28.2 67.5 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.598 -0.689 . . . . 0.0 110.296 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -83.12 -34.27 26.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 110.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 22' ' ' PRO . 6.5 mp -89.05 -46.07 9.14 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.303 -0.873 . . . . 0.0 110.181 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.521 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 2.8 tpt180 68.65 2.04 3.27 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.441 -1.035 . . . . 0.0 110.848 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.541 ' CE1' ' HD2' ' A' ' 4' ' ' LYS . 12.4 p90 -73.03 -27.4 61.74 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 120.979 -1.076 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' HD2' ' CE1' ' A' ' 3' ' ' PHE . 2.4 mttp -54.54 -40.01 68.24 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.29 -0.881 . . . . 0.0 109.55 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -31.68 68.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.574 -0.704 . . . . 0.0 110.053 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.73 -45.46 92.11 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.315 -0.866 . . . . 0.0 109.565 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -60.05 -38.81 83.88 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.488 -0.757 . . . . 0.0 109.651 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -39.64 83.9 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.493 -0.755 . . . . 0.0 109.813 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -50.0 71.86 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.479 -0.763 . . . . 0.0 109.687 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -37.95 73.6 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.496 -0.752 . . . . 0.0 109.079 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -62.67 -44.16 96.96 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.552 -0.718 . . . . 0.0 109.775 179.505 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -58.37 -46.92 85.38 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.404 -0.81 . . . . 0.0 109.357 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.93 -50.44 68.68 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.1 m-85 -60.05 -34.96 74.11 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.597 -0.689 . . . . 0.0 109.547 179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 7.8 mtmt -65.85 -48.42 71.68 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.354 -0.841 . . . . 0.0 109.941 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -35.61 80.25 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.372 -0.83 . . . . 0.0 109.801 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -85.96 -34.79 20.76 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.56 -0.712 . . . . 0.0 111.122 -179.505 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.463 ' HA ' ' HG3' ' A' ' 22' ' ' PRO . 29.2 p -92.37 96.05 1.17 Allowed Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.317 -0.865 . . . . 0.0 111.198 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.587 ' HD3' ' O ' ' A' ' 17' ' ' LEU . 44.1 Cg_endo -66.74 84.81 0.3 Allowed 'Trans proline' 0 C--N 1.309 -1.513 0 O-C-N 123.697 1.367 . . . . 0.0 111.887 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.611 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 26.3 t 35.07 72.16 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.641 -0.662 . . . . 0.0 111.819 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.611 ' HB ' ' O ' ' A' ' 20' ' ' VAL . 6.7 mm 75.7 78.22 0.17 Allowed Pre-proline 0 N--CA 1.502 2.127 0 O-C-N 122.073 -0.392 . . . . 0.0 111.909 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.513 ' HB3' ' HD2' ' A' ' 19' ' ' PRO . 47.5 Cg_endo -85.05 -15.25 5.68 Favored 'Trans proline' 0 C--N 1.303 -1.857 0 O-C-N 124.001 1.527 . . . . 0.0 109.95 178.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -56.77 -70.71 0.11 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.436 -0.79 . . . . 0.0 110.713 -179.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -19.55 5.39 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.342 -0.849 . . . . 0.0 110.182 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -85.7 -18.77 32.16 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.352 -0.843 . . . . 0.0 109.654 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 23' ' ' LEU . 3.9 mt -73.57 145.36 45.54 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.393 -0.817 . . . . 0.0 110.083 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.789 -1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.519 ' HG3' ' N ' ' A' ' 3' ' ' PHE . 17.6 tpt180 -147.52 -86.75 0.09 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.232 -1.158 . . . . 0.0 110.441 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 3' ' ' PHE . 12.2 p90 -77.92 -25.33 48.33 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.332 -0.855 . . . . 0.0 110.607 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -66.68 -51.72 52.92 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.283 -0.886 . . . . 0.0 109.854 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -56.1 -21.59 23.12 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.379 -0.826 . . . . 0.0 109.31 179.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.499 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 2.1 t80 -64.67 -43.4 93.7 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.343 0.592 . . . . 0.0 110.309 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttm-85 -62.39 -48.34 80.15 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.239 -0.913 . . . . 0.0 109.491 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -38.23 72.47 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.533 -0.73 . . . . 0.0 109.476 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -59.15 -47.38 85.52 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.557 0.694 . . . . 0.0 109.49 179.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -38.41 75.88 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.621 0.724 . . . . 0.0 109.315 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 12' ' ' LYS . 6.3 tptm -62.28 -51.7 66.64 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 24.0 mttt -63.27 -43.08 98.96 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.476 -0.765 . . . . 0.0 109.455 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.416 HD12 ' NZ ' ' A' ' 16' ' ' LYS . 32.4 tp -60.25 -36.22 77.27 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.543 -0.723 . . . . 0.0 110.116 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.55 -37.78 82.36 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.285 -0.884 . . . . 0.0 110.189 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -69.46 -50.98 40.44 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.225 -0.922 . . . . 0.0 109.757 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' NZ ' HD12 ' A' ' 13' ' ' LEU . 2.2 ttpm? -56.16 -27.06 52.84 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.378 -0.826 . . . . 0.0 109.511 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.575 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 11.0 tp -60.06 -48.08 83.21 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.317 -0.865 . . . . 0.0 110.583 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.71 80.69 0.13 Allowed Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.513 -0.742 . . . . 0.0 111.943 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.575 ' HD3' ' O ' ' A' ' 17' ' ' LEU . 47.1 Cg_endo -68.41 -46.47 2.0 Allowed 'Trans proline' 0 C--N 1.312 -1.365 0 N-CA-C 109.324 -1.068 . . . . 0.0 109.324 178.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.822 HG13 HG22 ' A' ' 21' ' ' ILE . 7.0 p 170.4 -26.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.822 HG22 HG13 ' A' ' 20' ' ' VAL . 1.2 tp -150.42 70.05 8.93 Favored Pre-proline 0 N--CA 1.493 1.687 0 O-C-N 121.555 -0.716 . . . . 0.0 109.985 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -77.97 -7.73 16.45 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 O-C-N 124.027 1.541 . . . . 0.0 110.956 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.62 -15.13 50.24 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.033 -1.042 . . . . 0.0 110.362 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' O ' HD12 ' A' ' 24' ' ' LEU . 9.7 tp -69.16 -45.31 70.35 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.106 -0.996 . . . . 0.0 110.579 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -20.17 60.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.375 -0.828 . . . . 0.0 110.2 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.88 149.39 25.26 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.225 -0.922 . . . . 0.0 110.221 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -85.64 -52.43 5.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.256 -1.144 . . . . 0.0 110.213 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 36.4 m-85 -60.53 -42.22 96.06 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.347 -0.845 . . . . 0.0 109.857 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -56.3 -29.29 61.04 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.301 -0.874 . . . . 0.0 109.751 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -59.35 -32.32 70.0 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.43 -0.794 . . . . 0.0 110.15 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 0.2 OUTLIER -54.03 -41.64 68.26 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.103 -0.998 . . . . 0.0 108.821 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 1.4 ttp180 -62.42 -40.89 98.02 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.554 -0.716 . . . . 0.0 109.362 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -64.16 -47.73 78.76 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.487 -0.758 . . . . 0.0 109.541 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -32.85 67.81 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.455 -0.778 . . . . 0.0 109.93 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 2.0 t80 -58.03 -40.48 80.99 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.364 -0.835 . . . . 0.0 109.312 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.23 -51.27 66.9 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.314 -0.866 . . . . 0.0 109.042 179.439 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 16.3 mmtm -61.06 -45.36 95.09 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.564 -0.71 . . . . 0.0 109.308 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 26.5 tp -61.58 -38.67 88.39 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.569 -0.707 . . . . 0.0 109.448 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 11' ' ' LYS . 11.8 t80 -56.34 -31.68 63.97 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.564 -0.71 . . . . 0.0 109.777 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 6.2 tptp -70.0 -60.6 2.2 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.285 -0.884 . . . . 0.0 109.267 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -60.99 -22.56 64.63 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.726 ' O ' HG13 ' A' ' 20' ' ' VAL . 15.9 tp -90.69 2.11 56.24 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.67 -0.644 . . . . 0.0 110.663 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.639 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 33.5 t -60.97 -35.98 29.85 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.391 -0.818 . . . . 0.0 112.106 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 18' ' ' SER . 40.9 Cg_endo -71.19 6.37 1.83 Allowed 'Trans proline' 0 C--N 1.313 -1.293 0 O-C-N 122.756 0.872 . . . . 0.0 111.077 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -38.25 -45.28 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.25 -0.906 . . . . 0.0 110.015 179.076 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.703 HG23 ' O ' ' A' ' 21' ' ' ILE . 6.8 tp 31.92 108.39 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.676 0 CA-C-O 121.435 0.636 . . . . 0.0 111.598 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 39.7 Cg_endo -66.09 -2.08 6.3 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 O-C-N 123.485 1.255 . . . . 0.0 110.258 179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' HB2' HG13 ' A' ' 21' ' ' ILE . 4.1 mm? -88.11 -13.58 40.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.201 -0.937 . . . . 0.0 110.115 179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 tp -64.67 -46.8 80.88 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.271 -0.893 . . . . 0.0 110.462 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.57 -27.1 29.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.386 -0.821 . . . . 0.0 110.572 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -81.91 156.72 24.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.17 -0.956 . . . . 0.0 110.279 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -39.13 -77.5 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.566 -0.961 . . . . 0.0 110.708 -179.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.78 -23.45 43.37 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.207 -0.933 . . . . 0.0 110.285 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -50.67 -31.46 16.38 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.342 -0.849 . . . . 0.0 109.835 -179.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.56 -41.57 92.82 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.5 -0.75 . . . . 0.0 109.986 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -57.68 -31.78 66.69 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.427 -0.796 . . . . 0.0 110.092 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -62.72 -50.27 71.76 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.338 -0.851 . . . . 0.0 109.345 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' A' ' 7' ' ' ARG . 16.0 mtpt -63.26 -47.82 80.78 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.399 -0.813 . . . . 0.0 109.336 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 mmtp -57.85 -32.32 67.53 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.562 -0.711 . . . . 0.0 109.551 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.524 ' HA ' ' HG ' ' A' ' 13' ' ' LEU . 2.7 t80 -59.01 -33.01 70.24 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.48 -0.763 . . . . 0.0 110.109 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.41 -47.37 84.42 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.329 -0.857 . . . . 0.0 109.778 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -29.17 64.48 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.461 -0.774 . . . . 0.0 109.805 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.637 ' N ' HD23 ' A' ' 13' ' ' LEU . 3.6 mt -66.76 -42.79 85.55 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.394 -0.816 . . . . 0.0 109.181 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.91 -39.26 53.96 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.63 0.728 . . . . 0.0 109.204 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' O ' ' OG ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -65.17 -47.71 76.05 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.331 179.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -61.72 -31.96 72.16 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.406 -0.809 . . . . 0.0 109.512 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -48.66 67.31 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.598 -0.689 . . . . 0.0 110.597 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.503 ' HB2' ' HB ' ' A' ' 21' ' ' ILE . 40.6 p -51.11 111.26 2.2 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 0.0 109.667 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.588 ' C ' HG22 ' A' ' 20' ' ' VAL . 46.1 Cg_endo -71.7 116.62 4.77 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 O-C-N 123.936 1.493 . . . . 0.0 111.511 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.588 HG22 ' C ' ' A' ' 19' ' ' PRO . 32.9 m 35.5 45.87 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.688 -0.632 . . . . 0.0 111.35 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.645 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.6 OUTLIER -77.97 -37.15 1.46 Allowed Pre-proline 0 N--CA 1.489 1.514 0 O-C-N 121.228 -0.92 . . . . 0.0 110.704 179.233 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 48.0 Cg_endo -78.79 -21.91 9.37 Favored 'Trans proline' 0 C--N 1.316 -1.146 0 O-C-N 123.344 1.181 . . . . 0.0 110.346 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.914 HD13 ' O ' ' A' ' 23' ' ' LEU . 3.3 tm? -65.03 -27.81 69.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.181 -0.95 . . . . 0.0 110.182 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -26.62 64.78 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.333 -0.854 . . . . 0.0 110.359 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.13 -40.05 68.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.0 110.401 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -70.33 0.46 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.32 -0.863 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.17 7.42 35.3 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.263 -1.14 . . . . 0.0 110.186 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.487 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -58.41 -15.21 9.81 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.258 -0.901 . . . . 0.0 110.303 -179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -74.0 -50.18 21.02 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.291 -0.881 . . . . 0.0 109.829 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.2 tpt85 -54.57 -26.03 29.77 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.509 -0.745 . . . . 0.0 109.666 179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 3.7 m-30 -58.94 -44.81 91.45 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.437 -0.79 . . . . 0.0 109.097 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -52.9 56.3 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.51 -29.14 61.49 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.483 0.658 . . . . 0.0 109.541 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -44.05 97.65 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 121.313 -0.867 . . . . 0.0 109.93 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -53.67 -40.58 66.04 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.39 -0.819 . . . . 0.0 108.914 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -63.0 -48.08 80.36 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.517 0.675 . . . . 0.0 109.359 179.264 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -65.04 -43.61 91.8 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.336 -0.853 . . . . 0.0 109.009 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.632 ' O ' HD12 ' A' ' 13' ' ' LEU . 3.0 tp -57.49 -35.61 70.43 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.596 -0.69 . . . . 0.0 109.551 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.561 ' CE1' ' OG ' ' A' ' 18' ' ' SER . 3.5 t80 -58.31 -40.51 82.21 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.401 -0.812 . . . . 0.0 109.916 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.55 -36.59 78.81 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.356 -0.84 . . . . 0.0 109.885 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -51.76 51.69 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.5 -0.75 . . . . 0.0 110.133 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.683 HD23 ' C ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -83.35 -9.91 58.78 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.521 -0.737 . . . . 0.0 109.961 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.561 ' OG ' ' CE1' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -51.16 106.51 0.66 Allowed Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.189 -0.945 . . . . 0.0 110.6 -179.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.483 ' HD3' ' O ' ' A' ' 17' ' ' LEU . 44.4 Cg_endo -76.55 -42.51 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 O-C-N 123.964 1.507 . . . . 0.0 109.487 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.478 ' C ' HD12 ' A' ' 21' ' ' ILE . 1.9 t -149.61 20.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 121.653 -0.654 . . . . 0.0 109.858 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.609 ' O ' HG22 ' A' ' 21' ' ' ILE . 3.3 mp 58.56 56.2 6.02 Favored Pre-proline 0 N--CA 1.496 1.863 0 O-C-N 121.429 -0.795 . . . . 0.0 111.384 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 21' ' ' ILE . 53.4 Cg_endo -80.63 -1.05 11.05 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 123.902 1.475 . . . . 0.0 110.165 179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -79.52 -38.46 34.26 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.966 . . . . 0.0 110.545 -179.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.96 -18.47 5.08 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.315 -0.865 . . . . 0.0 110.129 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' NH2 . 29.3 m80 -88.74 -18.31 28.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.388 -0.82 . . . . 0.0 110.457 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.29 81.33 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.128 -0.983 . . . . 0.0 110.072 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.336 -1.506 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.3 -24.4 13.89 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -1.209 . . . . 0.0 110.383 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -49.75 -36.56 26.25 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 121.06 -1.025 . . . . 0.0 109.352 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.11 -25.75 23.7 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.631 -0.668 . . . . 0.0 109.572 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -59.46 -32.7 70.47 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.41 -0.806 . . . . 0.0 109.826 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 9' ' ' LYS . 3.3 m-30 -56.38 -40.28 74.33 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.198 -0.939 . . . . 0.0 109.342 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 7' ' ' ARG . 9.2 tpp180 -64.9 -54.14 35.53 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -23.19 31.49 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.511 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 1.4 tttt -61.34 -46.87 88.42 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.634 -0.666 . . . . 0.0 109.487 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.73 -39.8 65.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.241 -0.912 . . . . 0.0 108.756 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -53.94 -36.49 62.86 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.511 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 5.5 tttt -61.24 -37.41 82.96 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.651 -0.656 . . . . 0.0 109.76 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.609 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -54.05 -37.04 63.72 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.325 -0.859 . . . . 0.0 109.183 179.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.552 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -61.24 -46.47 90.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.408 -0.807 . . . . 0.0 108.977 179.243 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 2.3 mptp? -69.59 -38.31 77.29 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 178.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HB2' ' HA ' ' A' ' 13' ' ' LEU . 18.8 mmtt -54.98 -32.02 61.33 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -49.54 -31.03 9.48 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.232 179.628 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.599 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -64.15 -66.53 1.43 Allowed Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 120.986 -1.071 . . . . 0.0 109.123 179.137 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.715 ' C ' HG23 ' A' ' 20' ' ' VAL . 52.7 Cg_endo -76.22 129.34 11.2 Favored 'Trans proline' 0 C--N 1.313 -1.324 0 O-C-N 123.442 1.233 . . . . 0.0 109.884 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.715 HG23 ' C ' ' A' ' 19' ' ' PRO . 2.6 t 77.57 -21.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 121.449 -0.782 . . . . 0.0 111.483 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.788 HG23 ' O ' ' A' ' 21' ' ' ILE . 9.2 tt 27.75 66.43 0.59 Allowed Pre-proline 0 N--CA 1.498 1.926 0 O-C-N 121.656 -0.652 . . . . 0.0 111.606 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 17' ' ' LEU . 41.7 Cg_endo -70.77 -9.24 25.36 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 O-C-N 123.835 1.439 . . . . 0.0 109.697 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -60.26 3.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.4 -0.812 . . . . 0.0 109.312 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -56.68 -29.61 62.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.451 -0.781 . . . . 0.0 109.757 179.352 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -30.64 61.1 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.433 -0.792 . . . . 0.0 109.861 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.28 23.36 2.53 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.306 -0.871 . . . . 0.0 109.995 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.916 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' ' HD2' ' A' ' 5' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 3.4 mmm180 -62.64 -82.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.191 -1.182 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -55.6 -31.1 61.96 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.386 -0.821 . . . . 0.0 109.981 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.8 mttp -53.51 -30.71 42.69 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.236 -0.915 . . . . 0.0 109.431 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -63.79 -28.58 69.97 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.478 -0.764 . . . . 0.0 109.979 179.687 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.496 ' HB2' ' O ' ' A' ' 3' ' ' PHE . 15.5 m-85 -59.38 -43.69 92.85 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.259 -0.9 . . . . 0.0 109.424 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 6.0 mmt180 -63.79 -51.19 65.92 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.588 -0.845 . . . . 0.0 108.908 179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 24.4 mmtm -55.97 -17.93 7.95 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.371 -0.831 . . . . 0.0 109.502 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 10' ' ' PHE . 3.3 pttt -68.46 -44.36 75.0 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.347 -0.846 . . . . 0.0 110.119 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -64.07 -27.83 69.37 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.136 -0.977 . . . . 0.0 109.14 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 8' ' ' LYS . 17.5 mttp -64.79 -48.48 74.3 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.465 -0.772 . . . . 0.0 109.935 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -34.49 70.86 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.449 -0.782 . . . . 0.0 109.937 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.536 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -59.81 -36.07 76.01 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.303 -0.873 . . . . 0.0 109.656 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.536 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 11.8 m-85 -67.34 -51.17 55.64 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.277 -0.889 . . . . 0.0 109.761 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.513 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 6.8 ttmm -57.2 -30.54 64.62 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.499 -0.751 . . . . 0.0 109.761 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 13' ' ' LEU . 1.4 mtmt -62.27 -46.29 89.48 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.379 -0.825 . . . . 0.0 109.957 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 51.3 tp -84.19 -2.26 56.57 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.491 -0.756 . . . . 0.0 110.728 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.1 OUTLIER -65.87 -57.56 13.49 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.103 -0.998 . . . . 0.0 110.158 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.602 ' O ' HG23 ' A' ' 20' ' ' VAL . 47.3 Cg_endo -71.95 80.01 1.57 Allowed 'Trans proline' 0 C--N 1.307 -1.644 0 O-C-N 123.92 1.484 . . . . 0.0 110.254 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 19' ' ' PRO . 1.2 t 165.41 -6.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.571 -0.706 . . . . 0.0 111.525 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -70.3 -32.31 2.69 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 120.538 -1.351 . . . . 0.0 112.434 -179.442 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 45.5 Cg_endo -74.71 8.63 2.23 Favored 'Trans proline' 0 C--N 1.315 -1.217 0 O-C-N 122.823 0.907 . . . . 0.0 112.002 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.59 -23.95 34.15 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.655 -1.278 . . . . 0.0 110.118 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 24' ' ' LEU . 9.6 tt -58.04 -35.6 71.54 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.373 -0.83 . . . . 0.0 110.607 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -69.38 -55.1 11.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.29 -0.881 . . . . 0.0 110.523 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.93 170.47 14.72 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.292 -0.88 . . . . 0.0 110.532 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.91 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.3 mmt-85 -100.56 -20.21 15.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.17 -1.194 . . . . 0.0 109.95 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -59.97 -17.1 35.62 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.354 -0.841 . . . . 0.0 110.61 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -54.91 -27.99 47.33 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.18 -0.95 . . . . 0.0 110.233 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -39.12 82.59 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.308 -0.87 . . . . 0.0 110.196 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -64.61 -52.28 58.28 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.413 -0.804 . . . . 0.0 109.45 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.494 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 2.9 tpp180 -58.82 -28.11 65.72 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.564 -0.71 . . . . 0.0 109.35 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -64.59 -47.39 78.84 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.25 -0.906 . . . . 0.0 110.07 179.725 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -34.96 64.65 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.317 -0.865 . . . . 0.0 109.784 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.494 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -55.65 -38.69 69.9 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.471 -0.768 . . . . 0.0 109.356 179.553 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' CG ' ' N ' ' A' ' 12' ' ' LYS . 22.5 pttt -60.0 -42.31 93.99 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.385 -0.822 . . . . 0.0 109.47 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.96 -41.97 90.51 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.25 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -58.43 -46.27 86.84 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.511 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 11.8 t80 -59.12 -37.4 77.12 Favored 'General case' 0 C--N 1.3 -1.578 0 C-N-CA 119.816 -0.754 . . . . 0.0 109.8 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -32.04 73.39 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.202 -0.937 . . . . 0.0 109.583 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.03 -41.82 68.46 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.358 -0.839 . . . . 0.0 108.745 179.422 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 14' ' ' PHE . 2.2 mm? -46.03 -61.07 1.91 Allowed 'General case' 0 C--N 1.302 -1.488 0 C-N-CA 119.809 -0.756 . . . . 0.0 109.437 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 m -44.55 130.8 4.91 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.602 -0.686 . . . . 0.0 109.818 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.573 ' C ' HG23 ' A' ' 20' ' ' VAL . 51.5 Cg_endo -81.43 33.26 0.52 Allowed 'Trans proline' 0 C--N 1.308 -1.584 0 O-C-N 123.889 1.468 . . . . 0.0 111.52 -179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.573 HG23 ' C ' ' A' ' 19' ' ' PRO . 2.8 t 69.15 40.9 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.087 -1.008 . . . . 0.0 110.448 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 21' ' ' ILE . 1.4 tt 30.15 59.73 0.91 Allowed Pre-proline 0 N--CA 1.5 2.046 0 O-C-N 121.843 -0.536 . . . . 0.0 111.524 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 48.0 Cg_endo -78.54 -1.55 11.7 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 O-C-N 123.862 1.453 . . . . 0.0 110.488 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 tp -71.6 -54.63 9.8 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.165 -0.96 . . . . 0.0 110.235 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -24.95 18.26 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.294 -0.879 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -86.92 -40.52 14.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.363 -0.835 . . . . 0.0 110.266 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.91 -72.0 0.5 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.327 -0.858 . . . . 0.0 110.146 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.2 mmp_? -92.44 -1.24 57.13 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.266 -1.138 . . . . 0.0 110.115 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.23 -29.14 60.59 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.297 -0.877 . . . . 0.0 110.177 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -61.86 -39.36 91.59 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.429 -0.795 . . . . 0.0 110.401 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -58.6 -43.41 89.55 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.253 -0.904 . . . . 0.0 109.604 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.52 -52.34 61.6 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.606 0.717 . . . . 0.0 109.357 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.31 -32.87 71.63 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 1.5 tppp? -59.09 -37.57 77.43 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.477 -0.764 . . . . 0.0 109.413 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -65.19 -38.4 90.37 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -66.22 -48.81 69.38 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.636 -0.665 . . . . 0.0 109.635 179.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -60.61 -26.67 67.18 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.299 -0.875 . . . . 0.0 109.443 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.504 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -66.76 -32.69 74.15 Favored 'General case' 0 N--CA 1.484 1.263 0 O-C-N 121.506 -0.746 . . . . 0.0 109.807 179.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.647 HD23 ' N ' ' A' ' 13' ' ' LEU . 3.7 mt -65.6 -46.2 80.28 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.812 0.815 . . . . 0.0 109.231 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.62 -41.96 67.25 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.662 0.744 . . . . 0.0 109.534 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 18' ' ' SER . 1.0 OUTLIER -61.46 -43.47 98.82 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.487 0.66 . . . . 0.0 110.171 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -37.57 87.58 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.552 -0.717 . . . . 0.0 110.743 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 18' ' ' SER . 12.7 tp -89.21 -1.73 58.2 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.21 -0.931 . . . . 0.0 110.838 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.478 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -41.63 130.12 2.36 Favored Pre-proline 0 N--CA 1.494 1.747 0 O-C-N 121.348 -0.845 . . . . 0.0 110.05 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.455 ' O ' ' HD3' ' A' ' 22' ' ' PRO . 47.0 Cg_endo -72.0 -26.79 18.08 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 O-C-N 124.012 1.532 . . . . 0.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 21' ' ' ILE . 71.0 t -47.87 -35.31 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.228 -0.92 . . . . 0.0 110.088 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.589 HG12 HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -149.07 86.58 5.61 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.236 -0.915 . . . . 0.0 110.04 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 47.4 Cg_endo -74.61 -5.73 17.28 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 O-C-N 124.016 1.535 . . . . 0.0 110.245 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.816 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -76.91 -18.69 58.13 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.192 -0.943 . . . . 0.0 110.149 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.816 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -69.92 -30.85 68.36 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.165 -0.96 . . . . 0.0 110.501 -179.776 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 27' ' ' NH2 . 1.1 t60 -89.52 1.57 55.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.212 -0.93 . . . . 0.0 110.464 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -48.16 90.91 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.12 -0.988 . . . . 0.0 110.136 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . 0.511 ' N ' ' O ' ' A' ' 25' ' ' HIS . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.401 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 0.8 OUTLIER -140.06 -38.08 0.46 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.199 -1.177 . . . . 0.0 110.482 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.53 ' CD1' ' C ' ' A' ' 3' ' ' PHE . 3.3 p90 -84.8 -21.99 29.71 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.24 -0.912 . . . . 0.0 110.155 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -56.98 -42.25 79.89 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.28 -0.888 . . . . 0.0 109.716 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.431 ' CG ' ' N ' ' A' ' 6' ' ' PHE . 4.8 ptm180 -60.62 -35.43 76.14 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.466 -0.771 . . . . 0.0 109.801 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.431 ' N ' ' CG ' ' A' ' 5' ' ' ARG . 80.1 t80 -63.82 -47.54 80.42 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.449 -0.782 . . . . 0.0 109.812 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -59.82 -39.92 86.7 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.451 -0.781 . . . . 0.0 109.695 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -43.3 98.66 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.484 -0.76 . . . . 0.0 109.809 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -61.07 -47.17 87.55 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.434 -0.792 . . . . 0.0 109.24 179.533 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.542 ' CD1' HD21 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -64.73 -47.51 78.03 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.467 -0.771 . . . . 0.0 109.232 179.163 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -22.83 56.28 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.414 -0.804 . . . . 0.0 109.342 179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -63.48 -44.08 95.44 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.437 -0.789 . . . . 0.0 110.208 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.542 HD21 ' CD1' ' A' ' 10' ' ' PHE . 1.3 pp -68.62 -30.36 69.06 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.129 -0.982 . . . . 0.0 109.911 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.524 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -73.32 -36.52 66.24 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.313 -0.867 . . . . 0.0 109.169 179.117 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -40.12 88.31 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.588 -0.695 . . . . 0.0 109.778 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -53.43 -36.86 62.01 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.333 -0.854 . . . . 0.0 108.869 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.579 ' O ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -60.52 -65.68 0.65 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.51 0.672 . . . . 0.0 109.193 178.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.86 72.78 0.05 OUTLIER Pre-proline 0 N--CA 1.495 1.787 0 O-C-N 122.016 -0.428 . . . . 0.0 111.195 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.579 ' CD ' ' O ' ' A' ' 17' ' ' LEU . 47.1 Cg_endo -69.64 -93.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.515 0 O-C-N 123.005 1.003 . . . . 0.0 110.571 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 20' ' ' VAL . 6.7 p -139.44 35.01 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.256 -0.902 . . . . 0.0 110.353 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.78 ' O ' HG22 ' A' ' 21' ' ' ILE . 2.8 mp 56.71 46.14 2.07 Favored Pre-proline 0 N--CA 1.492 1.635 0 O-C-N 121.206 -0.934 . . . . 0.0 111.173 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.584 ' HD3' ' N ' ' A' ' 21' ' ' ILE . 51.0 Cg_endo -77.64 -19.38 12.9 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 O-C-N 123.555 1.292 . . . . 0.0 110.156 179.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.16 -51.25 62.28 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.395 -0.816 . . . . 0.0 110.306 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.2 tt -52.42 -22.21 4.48 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.316 -0.865 . . . . 0.0 109.991 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -81.81 -28.28 33.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.36 -0.837 . . . . 0.0 110.212 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -90.31 -53.16 4.57 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.231 -0.918 . . . . 0.0 110.246 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.912 -1.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.519 -1.433 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.83 -72.72 0.57 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.19 -1.182 . . . . 0.0 110.296 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -50.35 -21.38 1.39 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.348 -0.845 . . . . 0.0 109.9 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -55.73 -26.62 46.4 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.454 -0.779 . . . . 0.0 109.952 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.561 ' HG3' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -63.37 -23.37 67.38 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.262 -0.899 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.561 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -66.74 -53.09 37.0 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 121.135 -0.978 . . . . 0.0 109.506 179.549 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -58.52 -34.88 71.47 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.35 -0.844 . . . . 0.0 109.256 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -33.8 70.13 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.575 -0.703 . . . . 0.0 109.959 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 1.3 tptt -60.54 -51.8 67.89 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.298 -0.876 . . . . 0.0 108.955 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.515 ' HA ' HD23 ' A' ' 13' ' ' LEU . 12.8 t80 -59.97 -26.53 66.08 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -24.35 66.71 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.47 -0.769 . . . . 0.0 109.518 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -63.61 -49.95 71.3 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.477 -0.764 . . . . 0.0 110.097 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.523 ' HG ' ' N ' ' A' ' 14' ' ' PHE . 1.7 pp -57.04 -29.05 63.07 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.43 -0.794 . . . . 0.0 109.879 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -75.0 -42.5 57.35 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.358 -0.839 . . . . 0.0 109.226 179.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 1.4 tptp -60.73 -34.63 74.7 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.558 -0.714 . . . . 0.0 109.757 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -41.31 93.49 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.306 -0.871 . . . . 0.0 109.869 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.59 -33.85 69.4 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.458 -0.776 . . . . 0.0 110.305 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.21 137.09 31.22 Favored Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 121.293 -0.88 . . . . 0.0 110.342 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -73.78 -87.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 123.995 1.524 . . . . 0.0 110.593 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' A' ' 21' ' ' ILE . 42.7 t -113.89 7.34 7.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.179 -0.95 . . . . 0.0 110.343 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 21' ' ' ILE . 3.7 tt 25.13 57.72 0.39 Allowed Pre-proline 0 N--CA 1.505 2.298 0 O-C-N 122.127 -0.358 . . . . 0.0 111.814 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.54 ' HD3' ' N ' ' A' ' 21' ' ' ILE . 54.1 Cg_endo -87.2 -2.03 7.85 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 O-C-N 123.897 1.472 . . . . 0.0 110.307 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.78 -13.97 60.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.25 -0.907 . . . . 0.0 110.909 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.6 tp -58.01 -44.07 87.04 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.036 -1.04 . . . . 0.0 109.583 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -90.51 -38.66 13.07 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.537 -0.727 . . . . 0.0 110.141 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.7 mp -85.22 164.49 18.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.407 -0.808 . . . . 0.0 110.116 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 119.761 -1.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.06 -147.03 0.29 Allowed 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.348 -1.089 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.01 -22.02 2.1 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.174 -0.954 . . . . 0.0 109.451 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -68.11 -50.99 51.37 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.404 -0.81 . . . . 0.0 109.73 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -29.39 19.47 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.279 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.485 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 3.3 t80 -56.73 -40.41 75.69 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.57 -0.706 . . . . 0.0 109.403 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -64.55 -44.87 89.42 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.507 -0.746 . . . . 0.0 109.566 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -33.43 72.78 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.46 -0.775 . . . . 0.0 109.61 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 0.5 OUTLIER -57.94 -45.18 87.0 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.357 -0.84 . . . . 0.0 109.287 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' HA ' HD23 ' A' ' 13' ' ' LEU . 7.9 t80 -58.2 -36.13 72.64 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.507 -0.745 . . . . 0.0 109.341 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -68.37 -17.85 64.34 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -70.2 -52.48 22.96 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.725 -0.609 . . . . 0.0 110.302 -179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 17' ' ' LEU . 2.6 pp -56.73 -26.99 58.43 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.63 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 1.1 t80 -71.31 -56.16 6.56 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.4 -0.813 . . . . 0.0 109.84 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -63.27 -23.02 67.24 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.483 -0.761 . . . . 0.0 109.9 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' O ' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -77.64 -35.96 52.0 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.282 -0.886 . . . . 0.0 110.246 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 13' ' ' LEU . 20.2 mt -81.08 -17.4 50.18 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.429 -0.795 . . . . 0.0 110.727 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.578 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.0 OUTLIER -63.67 -50.31 72.53 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.107 -0.996 . . . . 0.0 110.931 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 18' ' ' SER . 45.5 Cg_endo -73.03 -6.8 19.63 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 O-C-N 123.51 1.269 . . . . 0.0 111.047 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 17' ' ' LEU . 31.8 t -68.26 -3.83 2.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.061 -1.025 . . . . 0.0 110.53 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.803 HG23 ' O ' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -125.22 62.13 37.1 Favored Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.25 -0.906 . . . . 0.0 109.752 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 19' ' ' PRO . 44.7 Cg_endo -71.31 -15.57 31.44 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 O-C-N 123.494 1.26 . . . . 0.0 110.089 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -21.28 3.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.413 -0.804 . . . . 0.0 109.761 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -35.79 71.97 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.47 -0.769 . . . . 0.0 109.942 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -90.5 -30.98 16.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.473 -0.767 . . . . 0.0 110.185 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.42 113.86 0.84 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.0 110.145 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.725 -1.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -23.95 67.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -1.143 . . . . 0.0 110.086 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -62.43 -10.44 11.55 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.279 -0.888 . . . . 0.0 110.029 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -47.64 -37.65 13.19 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.061 -1.024 . . . . 0.0 109.36 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -51.95 44.8 Favored 'General case' 0 C--N 1.299 -1.629 0 C-N-CA 119.849 -0.74 . . . . 0.0 109.386 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.29 -30.08 62.03 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.55 -0.719 . . . . 0.0 109.481 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -57.79 -41.06 81.3 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 121.444 -0.785 . . . . 0.0 109.53 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 tttp -66.04 -53.88 32.91 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.474 -0.766 . . . . 0.0 109.093 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -57.34 -35.27 69.69 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.627 -0.671 . . . . 0.0 109.537 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -61.74 -43.71 98.33 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.482 -0.762 . . . . 0.0 109.682 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -63.43 -48.62 77.02 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.32 -0.862 . . . . 0.0 109.396 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -59.88 -40.98 90.54 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.513 -0.742 . . . . 0.0 109.636 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.67 -45.62 91.97 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.417 -0.802 . . . . 0.0 109.725 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -66.19 -42.15 89.26 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.475 -0.766 . . . . 0.0 109.532 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' CG ' ' HB3' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -62.96 -36.84 84.81 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.495 -0.753 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -65.34 -39.58 92.57 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.191 -0.943 . . . . 0.0 110.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -33.62 76.34 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.307 -0.871 . . . . 0.0 110.175 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.466 ' HB3' ' HB ' ' A' ' 21' ' ' ILE . 3.4 m -63.54 161.61 33.57 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.443 -0.786 . . . . 0.0 110.434 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.778 ' O ' HG12 ' A' ' 20' ' ' VAL . 43.7 Cg_endo -72.98 79.54 1.98 Allowed 'Trans proline' 0 C--N 1.303 -1.833 0 O-C-N 124.137 1.598 . . . . 0.0 110.657 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.778 HG12 ' O ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER 53.28 46.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 CA-C-O 121.752 0.786 . . . . 0.0 111.733 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.73 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -97.1 -4.52 0.11 Allowed Pre-proline 0 N--CA 1.492 1.645 0 O-C-N 120.927 -1.108 . . . . 0.0 112.958 179.025 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.73 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 50.2 Cg_endo -78.48 2.19 8.34 Favored 'Trans proline' 0 N--CA 1.482 0.821 0 N-CA-C 110.146 -0.752 . . . . 0.0 110.146 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 26' ' ' LEU . 37.8 mt -46.67 -35.81 6.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -0.943 . . . . 0.0 109.779 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.74 HD23 ' C ' ' A' ' 24' ' ' LEU . 5.7 tt -54.67 -37.03 65.24 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.5 -0.75 . . . . 0.0 109.743 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -18.09 25.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.536 -0.727 . . . . 0.0 110.276 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 59.3 tp -88.02 -53.4 4.75 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.358 -0.839 . . . . 0.0 110.364 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.651 -1.379 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.52 -23.3 4.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.227 -1.161 . . . . 0.0 110.454 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -59.39 -13.48 8.58 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.278 -0.888 . . . . 0.0 110.723 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -31.01 64.83 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.119 -0.988 . . . . 0.0 110.521 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.4 ttp85 -62.88 -49.48 74.68 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.285 -0.884 . . . . 0.0 110.068 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -57.32 -35.58 70.04 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.641 -0.662 . . . . 0.0 109.824 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -58.78 -39.51 81.25 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.516 -0.74 . . . . 0.0 109.845 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -57.34 -41.62 80.41 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.351 -0.843 . . . . 0.0 109.404 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 13' ' ' LEU . 1.2 ttmm -56.66 -30.57 63.52 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.667 -0.646 . . . . 0.0 109.828 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.466 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 40.5 t80 -59.5 -51.28 70.53 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.284 -0.885 . . . . 0.0 108.739 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -65.41 -46.76 78.74 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 1.9 mptp? -61.54 -35.42 77.7 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.548 -0.72 . . . . 0.0 109.084 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' O ' ' HB3' ' A' ' 16' ' ' LYS . 8.2 tp -56.16 -38.18 70.55 Favored 'General case' 0 C--N 1.306 -1.304 0 O-C-N 121.368 -0.833 . . . . 0.0 108.935 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -40.04 94.66 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.413 -0.804 . . . . 0.0 109.347 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 18' ' ' SER . 12.3 mttt -57.47 -30.58 65.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.428 -0.795 . . . . 0.0 109.808 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.19 -44.17 97.19 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.12 -0.988 . . . . 0.0 109.594 179.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -74.62 -24.4 58.85 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.597 -0.689 . . . . 0.0 110.92 -179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 6.4 m -43.5 167.91 0.07 OUTLIER Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.245 -0.909 . . . . 0.0 110.249 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.712 ' O ' HG22 ' A' ' 20' ' ' VAL . 38.6 Cg_endo -65.26 60.05 0.34 Allowed 'Trans proline' 0 C--N 1.304 -1.816 0 O-C-N 124.075 1.566 . . . . 0.0 110.12 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 19' ' ' PRO . 3.6 m 39.81 24.36 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.647 -0.658 . . . . 0.0 111.268 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.792 ' O ' HG22 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -155.91 62.64 3.19 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 121.112 -0.993 . . . . 0.0 109.485 179.646 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 21' ' ' ILE . 48.8 Cg_endo -87.34 -17.51 2.88 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 121.022 1.148 . . . . 0.0 110.691 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.7 tp -75.78 -31.55 59.55 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.233 -0.917 . . . . 0.0 110.723 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -55.92 -24.76 39.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.289 -0.882 . . . . 0.0 110.451 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.73 -34.43 19.67 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.235 -0.915 . . . . 0.0 110.535 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.7 tt -89.69 -69.02 0.74 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.168 -0.957 . . . . 0.0 110.333 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.87 -1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.85 -7.69 17.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.213 -1.169 . . . . 0.0 110.613 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -56.15 -30.49 62.24 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.207 -0.933 . . . . 0.0 110.221 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -47.6 -24.92 0.99 Allowed 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.292 -0.88 . . . . 0.0 109.012 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -55.54 -31.28 61.99 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.636 -0.665 . . . . 0.0 110.054 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.492 ' CG ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -57.18 -48.18 79.4 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.264 -0.897 . . . . 0.0 109.057 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' N ' ' CG ' ' A' ' 6' ' ' PHE . 53.9 ttt-85 -62.39 -43.25 99.26 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.619 -0.675 . . . . 0.0 109.612 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -28.66 64.45 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.458 -0.776 . . . . 0.0 109.664 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -54.55 20.65 Favored 'General case' 0 C--N 1.306 -1.31 0 O-C-N 121.244 -0.91 . . . . 0.0 109.655 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.458 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 4.2 m-30 -58.95 -39.66 82.34 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.448 -0.782 . . . . 0.0 109.009 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -50.48 68.65 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.459 -0.776 . . . . 0.0 109.075 178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.77 -38.41 72.44 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-O 121.614 0.721 . . . . 0.0 109.224 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB3' ' O ' ' A' ' 10' ' ' PHE . 11.9 tp -56.69 -40.91 76.41 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.525 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 17.9 m-30 -71.26 -42.15 69.16 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.54 -34.22 75.17 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.386 -0.821 . . . . 0.0 109.421 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.99 -35.04 31.68 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.305 -0.872 . . . . 0.0 108.705 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.64 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 13.9 tp -50.11 -65.86 0.49 Allowed 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.849 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 t -95.48 85.99 0.31 Allowed Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 121.454 -0.779 . . . . 0.0 111.093 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.741 ' O ' HG23 ' A' ' 20' ' ' VAL . 47.3 Cg_endo -69.29 -11.45 31.48 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 O-C-N 123.169 1.089 . . . . 0.0 110.857 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.741 ' O ' HG22 ' A' ' 21' ' ' ILE . 1.0 OUTLIER 167.65 -20.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.317 -0.865 . . . . 0.0 110.524 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.816 HG23 ' O ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER 91.81 64.94 0.03 OUTLIER Pre-proline 0 N--CA 1.51 2.548 0 CA-C-O 122.277 1.036 . . . . 0.0 110.4 -179.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.45 -17.19 30.59 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 121.107 1.205 . . . . 0.0 110.623 179.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -68.02 -9.4 45.48 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.191 -0.943 . . . . 0.0 109.889 179.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.44 -39.81 80.85 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.374 -0.829 . . . . 0.0 109.984 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.11 -36.37 14.89 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.46 -0.775 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 17.3 tp -61.41 102.75 0.25 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.277 -0.889 . . . . 0.0 110.29 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.4 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 9.2 mtt180 -92.01 13.64 18.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.226 -1.161 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -63.69 -52.03 62.44 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.13 -0.982 . . . . 0.0 109.687 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -30.47 63.91 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.489 -0.757 . . . . 0.0 109.663 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.4 ' HG3' ' HA ' ' A' ' 2' ' ' ARG . 9.1 mmt180 -66.23 -48.71 69.68 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.397 -0.814 . . . . 0.0 110.206 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -58.84 -34.0 71.06 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.419 -0.801 . . . . 0.0 110.025 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.37 -42.6 99.53 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.436 -0.79 . . . . 0.0 110.237 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -41.68 94.64 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.419 -0.8 . . . . 0.0 109.862 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -61.46 -37.91 85.32 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.405 -0.809 . . . . 0.0 110.251 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -59.29 -34.6 72.48 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.305 -0.872 . . . . 0.0 110.248 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -46.22 91.44 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.158 -0.964 . . . . 0.0 109.858 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -58.01 -35.3 71.06 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.468 -0.77 . . . . 0.0 109.841 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -59.95 -30.67 69.24 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.516 -0.74 . . . . 0.0 110.152 -179.794 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.512 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 15.4 m-85 -67.06 -49.06 66.35 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.148 -0.97 . . . . 0.0 110.255 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -39.73 76.89 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 109.464 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -26.35 14.52 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.472 -0.767 . . . . 0.0 109.385 179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.512 ' HB3' ' O ' ' A' ' 14' ' ' PHE . 53.7 tp -58.12 -51.41 69.84 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.483 -0.761 . . . . 0.0 111.291 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.81 110.75 41.9 Favored Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.241 -0.912 . . . . 0.0 110.821 -179.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.597 ' O ' HG13 ' A' ' 20' ' ' VAL . 50.7 Cg_endo -85.61 -85.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.523 0 O-C-N 123.966 1.508 . . . . 0.0 110.255 179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 19' ' ' PRO . 18.1 m -157.45 26.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.448 -0.782 . . . . 0.0 109.611 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.72 HG22 ' HD3' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -79.32 -26.99 0.49 Allowed Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.539 -0.725 . . . . 0.0 112.173 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.72 ' HD3' HG22 ' A' ' 21' ' ' ILE . 51.0 Cg_endo -79.89 -2.73 12.34 Favored 'Trans proline' 0 C--N 1.318 -1.064 0 O-C-N 122.739 0.862 . . . . 0.0 110.804 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.52 -22.39 23.63 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.114 -0.991 . . . . 0.0 110.412 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.52 -34.84 76.21 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.204 -0.935 . . . . 0.0 110.432 -179.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.31 -44.06 10.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.261 -0.899 . . . . 0.0 110.463 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -155.33 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.332 -0.855 . . . . 0.0 110.326 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.908 -1.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 ttp85 -125.76 -25.32 3.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -1.125 . . . . 0.0 110.342 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 1.2 m-85 -81.79 -31.79 31.65 Favored 'General case' 0 C--N 1.305 -1.343 0 O-C-N 121.309 -0.869 . . . . 0.0 110.336 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -37.05 75.64 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.369 -0.832 . . . . 0.0 110.432 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.08 -35.0 70.77 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 110.105 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.472 ' CD2' ' HA ' ' A' ' 3' ' ' PHE . 13.5 m-85 -58.45 -36.14 73.23 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.4 -0.812 . . . . 0.0 110.265 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -63.61 -52.73 59.61 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.202 -0.937 . . . . 0.0 109.343 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -61.96 -43.28 99.17 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.505 -0.747 . . . . 0.0 109.001 178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 42.8 tttt -58.69 -26.61 64.03 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.585 -0.697 . . . . 0.0 109.624 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.818 ' HA ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -63.42 -47.4 82.09 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 121.426 -0.797 . . . . 0.0 110.037 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -60.39 -44.64 95.47 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.465 -0.772 . . . . 0.0 109.474 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -39.51 83.03 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.542 -0.724 . . . . 0.0 109.866 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.818 HD23 ' HA ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -60.08 -35.46 75.22 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.414 -0.804 . . . . 0.0 110.144 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.595 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 2.3 m-85 -69.51 -31.94 70.49 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.235 -0.916 . . . . 0.0 109.332 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 18' ' ' SER . 0.0 OUTLIER -65.97 -49.67 67.02 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.562 -0.711 . . . . 0.0 109.749 179.58 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' O ' HD13 ' A' ' 21' ' ' ILE . 16.5 tttt -67.5 -39.41 85.18 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.403 -0.811 . . . . 0.0 109.415 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.674 HD12 HD12 ' A' ' 13' ' ' LEU . 17.9 mt -90.21 7.43 38.19 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.606 -0.684 . . . . 0.0 110.589 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.607 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -75.54 -42.94 4.08 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.342 -0.849 . . . . 0.0 111.935 -179.476 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 18' ' ' SER . 43.1 Cg_endo -73.15 94.03 0.82 Allowed 'Trans proline' 0 C--N 1.311 -1.396 0 O-C-N 123.338 1.178 . . . . 0.0 111.955 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 19' ' ' PRO . 18.2 m 27.23 69.77 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 CA-C-O 121.22 0.534 . . . . 0.0 111.862 178.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.581 ' CG1' ' HD2' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -111.73 171.32 4.43 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.205 -0.934 . . . . 0.0 109.286 179.701 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.581 ' HD2' ' CG1' ' A' ' 21' ' ' ILE . 37.5 Cg_endo -62.32 -36.32 68.17 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 O-C-N 123.375 1.197 . . . . 0.0 111.489 -179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.773 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -44.89 -33.33 1.92 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.978 -1.076 . . . . 0.0 109.308 179.497 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.773 ' N ' HD23 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -58.14 -32.44 68.16 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.51 -0.744 . . . . 0.0 110.11 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.679 ' N ' HD23 ' A' ' 24' ' ' LEU . 7.2 t60 -61.46 -30.16 70.42 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.327 -0.858 . . . . 0.0 110.656 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.21 141.9 43.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.1 -1.0 . . . . 0.0 110.231 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' O ' ' HD2' ' A' ' 4' ' ' LYS . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' O ' ' HD3' ' A' ' 4' ' ' LYS . 1.4 mtt180 -95.82 -25.11 16.16 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.145 -1.209 . . . . 0.0 110.135 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -58.0 -18.42 23.91 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.25 -0.906 . . . . 0.0 109.989 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -50.91 -22.21 2.11 Favored 'General case' 0 N--CA 1.485 1.286 0 O-C-N 121.284 -0.885 . . . . 0.0 109.084 179.676 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -56.44 -35.06 67.43 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.577 -0.702 . . . . 0.0 109.366 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.01 -41.69 83.63 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.487 -0.758 . . . . 0.0 109.431 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -62.52 -48.52 79.2 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.41 -43.39 98.95 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.531 -0.73 . . . . 0.0 109.253 179.06 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -62.49 -46.0 90.45 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.498 -0.751 . . . . 0.0 109.367 179.342 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 1.018 ' O ' HD23 ' A' ' 13' ' ' LEU . 81.1 t80 -64.74 -43.75 92.35 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.41 -0.807 . . . . 0.0 109.253 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 5.5 tptp -60.33 -23.93 64.62 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.245 -0.909 . . . . 0.0 109.365 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' LYS . 82.3 tttt -69.43 -56.13 8.32 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.395 -0.815 . . . . 0.0 109.799 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.018 HD23 ' O ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -67.85 -34.08 76.02 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 108.985 179.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -67.51 -27.99 67.45 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.746 -0.782 . . . . 0.0 109.379 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -60.0 -42.28 93.92 Favored 'General case' 0 C--N 1.308 -1.227 0 O-C-N 121.254 -0.904 . . . . 0.0 109.594 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -56.88 -42.66 80.22 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.285 -0.885 . . . . 0.0 109.209 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.637 ' N ' HD22 ' A' ' 17' ' ' LEU . 4.3 mm? -75.47 -55.12 5.99 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-O 121.858 0.837 . . . . 0.0 110.063 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.472 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 36.3 p -45.95 105.32 0.46 Allowed Pre-proline 0 N--CA 1.492 1.652 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.462 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 21' ' ' ILE . 49.8 Cg_endo -78.8 126.11 7.1 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 O-C-N 124.002 1.527 . . . . 0.0 110.345 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.9 p 35.13 28.76 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.873 -0.517 . . . . 0.0 111.572 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.596 ' N ' ' CD ' ' A' ' 22' ' ' PRO . 0.3 OUTLIER -100.05 -36.93 0.23 Allowed Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 120.959 -1.088 . . . . 0.0 112.308 -179.273 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' A' ' 21' ' ' ILE . 48.9 Cg_endo -78.18 -10.6 16.38 Favored 'Trans proline' 0 C--N 1.312 -1.342 0 O-C-N 122.95 0.974 . . . . 0.0 111.305 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -45.77 -25.49 0.51 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.001 -1.062 . . . . 0.0 110.518 -179.734 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -26.33 57.56 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.12 -0.987 . . . . 0.0 111.045 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.61 -29.14 26.02 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.121 -0.987 . . . . 0.0 110.435 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mp -79.89 158.86 26.59 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.175 -0.953 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.427 0 O-C-N 119.917 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.27 11.34 21.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.333 -1.098 . . . . 0.0 110.094 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -22.85 45.0 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.347 -0.845 . . . . 0.0 110.128 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.01 -23.17 1.89 Allowed 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.204 -0.935 . . . . 0.0 109.564 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.09 78.47 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.409 -0.807 . . . . 0.0 109.459 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -60.0 -44.19 94.69 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.574 -0.704 . . . . 0.0 109.518 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.44 -23.55 10.33 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.266 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -59.36 -46.83 87.55 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.328 -0.857 . . . . 0.0 109.375 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -60.68 -36.18 78.11 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.539 -0.725 . . . . 0.0 109.354 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.464 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -55.23 -45.46 76.0 Favored 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.368 -0.833 . . . . 0.0 108.763 179.187 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -61.55 -45.3 94.73 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 121.754 0.788 . . . . 0.0 109.02 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.52 -38.85 75.34 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.6 -0.687 . . . . 0.0 109.371 179.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -51.78 -41.4 61.62 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.301 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -64.63 -51.25 63.59 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -59.45 -34.96 73.17 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.569 0.7 . . . . 0.0 109.735 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.09 -43.26 99.02 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.38 -0.825 . . . . 0.0 110.154 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 12.8 tp -77.06 -29.79 55.26 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.417 -0.802 . . . . 0.0 110.358 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -41.77 100.54 0.22 Allowed Pre-proline 0 N--CA 1.494 1.74 0 O-C-N 121.366 -0.834 . . . . 0.0 110.658 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 17' ' ' LEU . 48.1 Cg_endo -84.58 -160.55 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 O-C-N 124.025 1.539 . . . . 0.0 110.207 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.718 ' O ' HG22 ' A' ' 20' ' ' VAL . 6.9 p -76.15 51.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.202 -0.936 . . . . 0.0 110.38 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.563 HG22 ' C ' ' A' ' 20' ' ' VAL . 1.0 OUTLIER 36.48 95.64 0.04 OUTLIER Pre-proline 0 N--CA 1.488 1.434 0 O-C-N 121.593 -0.692 . . . . 0.0 110.863 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.442 ' HD3' ' HG2' ' A' ' 19' ' ' PRO . 43.2 Cg_endo -70.96 -4.91 15.79 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 O-C-N 124.106 1.582 . . . . 0.0 109.092 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tp -77.98 -20.62 52.28 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.537 -0.727 . . . . 0.0 109.782 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -56.19 -29.47 60.94 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.32 -0.862 . . . . 0.0 110.065 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -86.08 -47.83 9.18 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.387 -0.821 . . . . 0.0 109.751 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.6 -178.94 3.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.349 -0.844 . . . . 0.0 110.306 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.883 -1.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_