data_1rpv_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 1rpv _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 ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 . . . . . 0 N--CA 1.498 1.927 0 CA-C-O 120.786 0.327 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -71.62 -35.84 70.58 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -73.19 -35.59 66.4 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.701 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -66.96 -34.68 78.3 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.65 -31.51 68.46 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -30.32 66.04 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.227 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HE ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -75.81 -35.79 59.93 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -69.76 -30.08 67.57 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -74.3 -35.31 63.69 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.59 -16.74 61.24 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 . . . . . 0 N--CA 1.496 1.835 0 CA-C-N 114.396 -1.275 . . . . 0.0 108.024 179.715 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.477 HH21 ' NH2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.971 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.477 ' NH2' HH21 ' A' ' 6' ' ' ARG . 76.7 mtt-85 -72.12 -40.53 68.05 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -69.81 -20.37 63.45 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 113.747 -1.57 . . . . 0.0 108.507 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -87.39 -19.99 27.32 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 114.231 -1.349 . . . . 0.0 109.833 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.0 -38.22 18.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 124.231 0.957 . . . . 0.0 109.813 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -32.52 60.19 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 124.023 0.827 . . . . 0.0 110.218 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -31.74 62.14 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -70.85 -40.57 72.26 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -62.07 -40.51 96.05 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.35 85.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.457 1.098 . . . . 0.0 108.782 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.9 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.475 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 120.524 0.202 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -72.84 -35.52 67.27 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -64.37 -34.22 77.66 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.756 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.442 HH21 ' HE1' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -58.03 -39.8 79.27 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 124.375 1.047 . . . . 0.0 109.117 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.409 ' HA ' ' CD2' ' A' ' 13' ' ' TRP . . . -62.04 -37.48 85.11 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.647 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.583 ' HE ' ' HA ' ' A' ' 11' ' ' ARG . 2.4 tpm_? -65.8 -25.06 67.06 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.602 1.189 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.568 ' HE ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -71.71 -46.95 57.09 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 123.65 0.594 . . . . 0.0 109.953 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.442 ' HE1' HH21 ' A' ' 9' ' ' ARG . 0.1 OUTLIER -65.94 -38.55 88.92 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -59.83 -37.55 79.54 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 124.819 1.324 . . . . 0.0 110.2 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.75 68.47 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.155 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.77 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.076 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -36.82 33.73 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 113.726 -1.579 . . . . 0.0 107.979 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.96 -38.11 87.73 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.391 1.057 . . . . 0.0 109.635 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -60.68 -43.69 97.41 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 124.383 1.052 . . . . 0.0 110.133 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.91 83.0 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.804 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -21.68 62.62 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.502 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -44.37 70.07 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -67.14 -44.13 80.59 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.583 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -68.44 -22.19 64.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.18 -32.67 63.18 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 . . . . . 0 N--CA 1.496 1.856 0 O-C-N 124.371 1.044 . . . . 0.0 111.214 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 120.628 0.252 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.77 -41.59 36.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -71.87 -30.5 65.49 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.029 -1.441 . . . . 0.0 108.5 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.425 HH12 ' N ' ' A' ' 13' ' ' TRP . 10.7 tpt85 -71.73 -33.07 68.39 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 13' ' ' TRP . . . -85.05 17.25 3.01 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.204 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.77 -17.6 1.44 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -30.45 16.31 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 14' ' ' ARG . 1.4 p-90 -60.08 -34.52 73.56 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 124.122 0.889 . . . . 0.0 111.778 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.487 ' N ' ' CD1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -83.45 -32.49 26.02 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 124.722 1.264 . . . . 0.0 108.179 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -27.01 65.16 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 124.298 0.999 . . . . 0.0 108.782 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.826 0 O-C-N 124.506 1.129 . . . . 0.0 109.576 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.46 HH22 ' HE1' ' A' ' 13' ' ' TRP . 1.9 tpm_? . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -74.94 -38.23 61.8 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.456 HD22 HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.17 -31.84 66.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 124.33 1.019 . . . . 0.0 108.572 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.456 HH21 HD22 ' A' ' 8' ' ' ASN . 0.0 OUTLIER -71.65 -31.42 66.82 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -76.14 -36.86 58.6 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -70.28 -21.77 62.92 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -72.87 -52.7 13.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 124.206 0.941 . . . . 0.0 108.664 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.522 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.9 p-90 -71.36 -22.31 61.92 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 118.393 -1.323 . . . . 0.0 110.24 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -75.2 -39.81 59.83 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.34 -25.9 62.59 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 . . . . . 0 N--CA 1.494 1.735 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.318 179.746 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 120.873 0.368 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -91.1 -29.21 17.43 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -68.09 -45.68 73.08 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 124.021 0.826 . . . . 0.0 109.803 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -30.4 68.8 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.57 60.34 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -73.84 -34.33 64.5 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -65.86 -43.95 86.86 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -62.25 -39.1 91.74 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 114.165 -1.379 . . . . 0.0 108.052 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -64.7 -35.35 80.77 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.69 1.244 . . . . 0.0 110.009 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.21 -18.71 63.93 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.866 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.573 ' HE ' ' NH1' ' A' ' 9' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 102.309 -3.219 . . . . 0.0 102.309 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HA ' ' HE ' ' A' ' 7' ' ' ARG . 2.6 tpm_? -78.05 -34.99 50.16 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 104.252 -2.499 . . . . 0.0 104.252 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.548 HD22 ' CZ ' ' A' ' 12' ' ' ARG . 27.9 t30 -64.4 -24.82 67.77 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.177 -1.409 . . . . 0.0 108.644 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.573 ' NH1' ' HE ' ' A' ' 6' ' ' ARG . 19.1 ttm180 -60.28 -47.09 87.5 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.67 -29.98 66.46 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 114.434 -1.257 . . . . 0.0 109.019 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -68.27 -31.55 71.09 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.548 ' CZ ' HD22 ' A' ' 8' ' ' ASN . 12.0 tpp180 -76.46 -38.88 54.71 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -58.55 -38.29 77.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 124.233 0.958 . . . . 0.0 108.418 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -71.37 -41.06 70.17 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -17.99 65.04 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.301 1.001 . . . . 0.0 110.466 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 . . . . . 0 N--CA 1.496 1.83 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.419 ' CD ' ' H ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 120.554 0.216 . . . . 0.0 110.519 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.535 ' HE ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -82.5 -39.47 22.39 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.37 -30.47 57.57 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.004 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -69.88 -49.08 55.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 124.527 1.142 . . . . 0.0 108.218 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.447 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . . . -59.46 -41.05 88.81 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.593 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HE ' ' HE ' ' A' ' 7' ' ' ARG . 39.6 ttp85 -67.5 -27.74 67.24 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 124.598 1.186 . . . . 0.0 108.722 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -49.85 53.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 124.026 0.829 . . . . 0.0 110.745 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.447 ' CE3' ' HA ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -66.72 -37.32 84.46 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.096 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -29.46 65.95 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 124.735 1.272 . . . . 0.0 110.504 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -32.28 69.98 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-N 113.958 -1.473 . . . . 0.0 107.993 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? . . . . . 0 N--CA 1.494 1.735 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -71.94 -33.83 68.53 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.31 -30.53 67.54 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 114.484 -1.235 . . . . 0.0 108.003 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.565 HH12 ' NE ' ' A' ' 12' ' ' ARG . 3.1 tpt85 -70.41 -30.28 67.11 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' A' ' 13' ' ' TRP . . . -75.42 -33.46 60.95 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -70.6 -17.96 62.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 124.818 1.324 . . . . 0.0 108.466 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.565 ' NE ' HH12 ' A' ' 9' ' ' ARG . 50.9 mtp85 -84.93 -46.27 11.42 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.504 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.526 ' CD1' ' HA ' ' A' ' 10' ' ' ALA . 2.4 p-90 -74.59 -23.07 58.69 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.631 -1.628 . . . . 0.0 111.76 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -27.06 39.81 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.57 -43.69 63.08 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 . . . . . 0 N--CA 1.496 1.83 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.585 179.79 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -76.07 -33.52 59.55 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -67.35 -33.86 76.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 124.616 1.198 . . . . 0.0 109.014 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -71.61 -43.16 66.71 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.494 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . . . -65.5 -29.96 70.67 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.724 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -79.22 -28.25 42.51 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.846 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.4 mtm-85 -69.57 -41.64 75.57 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.062 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.494 ' CE3' ' HA ' ' A' ' 10' ' ' ALA . 1.1 m0 -69.86 -41.7 74.51 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -53.03 -35.07 59.05 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.201 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.53 -53.11 31.31 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.561 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.969 0 O-C-N 123.733 0.646 . . . . 0.0 112.332 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 . . . . . 0 N--CA 1.5 2.067 0 CA-C-O 120.676 0.274 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -71.35 -33.42 69.57 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -74.68 -37.31 62.7 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 114.005 -1.452 . . . . 0.0 108.966 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.44 HH12 ' HE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -65.76 -40.56 92.18 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.973 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.534 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -72.05 -35.5 69.35 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.047 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -67.31 -31.19 71.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 124.624 1.203 . . . . 0.0 107.972 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HE ' HH12 ' A' ' 9' ' ' ARG . 58.7 mtp85 -72.38 -52.0 18.0 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.534 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.5 p-90 -71.5 -21.89 61.87 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.845 -1.542 . . . . 0.0 110.505 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -42.01 58.63 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.4 77.92 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 124.365 1.04 . . . . 0.0 108.638 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -69.77 -32.74 71.4 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.412 HD21 ' NH2' ' A' ' 11' ' ' ARG . 14.9 t-20 -65.39 -35.72 81.8 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -31.34 72.2 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 114.565 -1.198 . . . . 0.0 108.747 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.77 -38.55 80.12 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.412 ' NH2' HD21 ' A' ' 8' ' ' ASN . 0.4 OUTLIER -68.06 -37.39 81.24 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.002 -1.454 . . . . 0.0 108.672 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -41.86 92.33 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.641 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -67.81 -29.67 68.9 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.742 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -29.1 58.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.267 0.979 . . . . 0.0 108.641 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.1 -33.55 70.27 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-N 113.517 -1.674 . . . . 0.0 108.335 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.567 HH21 HD22 ' A' ' 8' ' ' ASN . 25.3 mtm180 -69.0 -38.08 79.08 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.567 HD22 HH21 ' A' ' 7' ' ' ARG . 6.7 m-80 -68.9 -44.85 72.32 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 113.182 -1.826 . . . . 0.0 107.968 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -27.98 69.69 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.951 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -69.93 -36.18 75.13 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.442 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -67.05 -25.18 66.13 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 124.694 1.246 . . . . 0.0 108.219 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -77.06 -49.96 14.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 124.231 0.957 . . . . 0.0 110.572 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.526 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.8 p-90 -72.53 -19.41 61.52 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -80.49 -45.52 17.39 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.43 91.09 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 . . . . . 0 N--CA 1.493 1.722 0 CA-C-N 113.851 -1.522 . . . . 0.0 108.832 179.795 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 120.836 0.35 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -35.33 63.98 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -71.66 -30.33 65.6 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.98 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -29.02 47.72 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.79 -34.99 67.28 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -73.02 -34.34 66.31 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 113.401 -1.727 . . . . 0.0 106.536 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -67.65 -38.94 84.52 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -68.05 -38.53 82.58 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.746 -1.115 . . . . 0.0 108.291 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -29.37 68.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 124.295 0.997 . . . . 0.0 108.417 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.64 -40.37 66.46 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 . . . . . 0 N--CA 1.495 1.823 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.016 179.85 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 121.109 0.481 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -77.54 -39.88 44.43 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -62.64 -54.07 45.01 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.444 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -63.55 -28.84 70.21 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 124.056 0.848 . . . . 0.0 110.984 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -32.65 70.96 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.144 0.902 . . . . 0.0 109.349 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.456 ' NH2' HH22 ' A' ' 12' ' ' ARG . 9.4 mtp180 -70.98 -21.1 62.35 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.902 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.456 HH22 ' NH2' ' A' ' 11' ' ' ARG . 8.7 mmt180 -90.27 -30.8 17.29 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -65.68 -42.17 91.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 124.405 1.065 . . . . 0.0 110.668 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -11.11 60.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 124.17 0.919 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.48 -14.93 15.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.388 1.055 . . . . 0.0 108.308 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.82 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.473 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.42 -34.36 70.24 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.416 HD22 ' HE ' ' A' ' 12' ' ' ARG . 2.7 t-20 -67.31 -48.62 67.05 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.223 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -63.98 -25.89 68.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 124.677 1.235 . . . . 0.0 111.055 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -76.74 -42.87 39.43 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -68.66 -24.51 64.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 124.548 1.155 . . . . 0.0 107.894 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HE ' HD22 ' A' ' 8' ' ' ASN . 22.6 mtt-85 -73.28 -53.07 11.77 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.859 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.526 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.26 -23.03 63.8 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.334 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -73.7 -37.52 65.16 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.76 70.29 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 . . . . . 0 N--CA 1.5 2.057 0 CA-C-O 120.803 0.335 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.6 ptm85 -75.04 -37.41 61.73 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -68.58 -31.34 70.47 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 114.024 -1.444 . . . . 0.0 108.533 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -25.75 67.6 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.12 78.8 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.955 0.784 . . . . 0.0 108.949 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -74.15 -36.98 64.16 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -69.92 -23.37 63.21 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 113.499 -1.682 . . . . 0.0 109.397 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -73.74 -31.91 63.6 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.16 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -87.64 -30.7 20.23 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.41 82.03 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? . . . . . 0 N--CA 1.495 1.777 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.041 179.795 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.437 ' N ' HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -79.84 -42.12 24.96 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -15.03 61.45 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.706 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.437 HH21 ' N ' ' A' ' 6' ' ' ARG . 3.4 mtm180 -78.08 -30.86 49.88 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.15 70.98 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -74.48 -31.09 62.09 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 114.058 -1.428 . . . . 0.0 108.344 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -66.35 -43.06 87.12 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -65.26 -36.7 84.94 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 114.407 -1.269 . . . . 0.0 108.038 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -62.53 -35.87 80.81 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.29 73.89 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.661 -1.154 . . . . 0.0 108.587 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 N--CA 1.495 1.809 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.851 179.85 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.019 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.446 HH12 ' NH1' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -74.65 -44.22 51.45 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -64.93 -24.44 67.52 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.71 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -30.95 71.56 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.546 ' HA ' ' CD1' ' A' ' 13' ' ' TRP . . . -68.26 -46.29 70.82 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' NH1' HH12 ' A' ' 7' ' ' ARG . 34.5 ttp180 -63.36 -24.12 67.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.65 1.219 . . . . 0.0 108.297 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -77.09 -47.45 20.48 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.591 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.546 ' CD1' ' HA ' ' A' ' 10' ' ' ALA . 2.2 p-90 -76.24 -17.15 59.63 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 118.267 -1.373 . . . . 0.0 109.893 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -74.25 -42.05 60.31 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.52 -34.89 67.91 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.46 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 . . . . . 0 N--CA 1.498 1.93 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.121 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.8 m . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 120.868 0.366 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -68.04 -9.13 43.54 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.132 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -130.74 20.84 5.05 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.26 77.7 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.773 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -62.59 -25.93 68.34 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.309 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -71.62 -35.84 70.58 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -73.19 -35.59 66.4 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.701 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -66.96 -34.68 78.3 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.65 -31.51 68.46 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -30.32 66.04 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.227 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HE ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -75.81 -35.79 59.93 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -69.76 -30.08 67.57 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -74.3 -35.31 63.69 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.59 -16.74 61.24 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -99.11 -14.68 19.28 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 114.396 -1.275 . . . . 0.0 108.024 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.58 68.21 1.5 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 146.68 43.82 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.904 -1.043 . . . . 0.0 110.113 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 119.263 -2.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.563 ' HG1' HH21 ' A' ' 3' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.5 2.043 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.563 HH21 ' HG1' ' A' ' 2' ' ' THR . 0.0 OUTLIER -64.36 -51.17 64.66 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.529 ' H ' HE21 ' A' ' 4' ' ' GLN . 0.8 OUTLIER -71.38 -34.8 70.74 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.231 -1.35 . . . . 0.0 107.723 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -90.99 57.52 3.51 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.477 HH21 ' NH2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -57.18 -28.83 63.15 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.747 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.477 ' NH2' HH21 ' A' ' 6' ' ' ARG . 76.7 mtt-85 -72.12 -40.53 68.05 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -69.81 -20.37 63.45 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 113.747 -1.57 . . . . 0.0 108.507 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -87.39 -19.99 27.32 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 114.231 -1.349 . . . . 0.0 109.833 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.0 -38.22 18.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 124.231 0.957 . . . . 0.0 109.813 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -32.52 60.19 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 124.023 0.827 . . . . 0.0 110.218 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -31.74 62.14 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -70.85 -40.57 72.26 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -62.07 -40.51 96.05 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.35 85.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.457 1.098 . . . . 0.0 108.782 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -31.06 70.48 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.475 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.33 -11.43 46.35 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.297 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.99 -175.37 0.06 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 124.274 0.984 . . . . 0.0 112.098 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.005 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.561 ' HE ' ' HA ' ' A' ' 3' ' ' ARG . 2.1 tpm_? -53.3 -36.17 60.93 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 124.472 1.108 . . . . 0.0 111.214 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -98.81 -33.09 11.03 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.359 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.99 53.1 1.35 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.934 0.873 . . . . 0.0 109.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -69.53 -38.47 77.54 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.36 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -72.84 -35.52 67.27 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -64.37 -34.22 77.66 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.756 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.442 HH21 ' HE1' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -58.03 -39.8 79.27 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 124.375 1.047 . . . . 0.0 109.117 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.409 ' HA ' ' CD2' ' A' ' 13' ' ' TRP . . . -62.04 -37.48 85.11 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.647 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.583 ' HE ' ' HA ' ' A' ' 11' ' ' ARG . 2.4 tpm_? -65.8 -25.06 67.06 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.602 1.189 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.568 ' HE ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -71.71 -46.95 57.09 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 123.65 0.594 . . . . 0.0 109.953 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.442 ' HE1' HH21 ' A' ' 9' ' ' ARG . 0.1 OUTLIER -65.94 -38.55 88.92 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -59.83 -37.55 79.54 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 124.819 1.324 . . . . 0.0 110.2 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.75 68.47 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.155 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -18.08 60.88 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.076 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -67.32 -32.08 72.8 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.602 0.564 . . . . 0.0 109.686 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -78.94 141.81 37.24 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 124.136 0.898 . . . . 0.0 108.848 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 119.408 -2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.503 2.216 0 CA-C-O 120.572 0.225 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.85 -25.94 31.99 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 124.599 1.187 . . . . 0.0 109.361 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.54 63.52 0.48 Allowed 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.425 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.4 -80.78 0.5 Allowed 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.75 -27.01 62.69 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -36.82 33.73 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 113.726 -1.579 . . . . 0.0 107.979 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.96 -38.11 87.73 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.391 1.057 . . . . 0.0 109.635 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -60.68 -43.69 97.41 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 124.383 1.052 . . . . 0.0 110.133 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.91 83.0 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.804 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.62 -21.68 62.62 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.502 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -44.37 70.07 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -67.14 -44.13 80.59 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.583 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -68.44 -22.19 64.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.18 -32.67 63.18 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -93.58 -19.23 21.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.371 1.044 . . . . 0.0 111.214 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.514 HE22 ' HE ' ' A' ' 18' ' ' ARG . 1.1 tm0? -99.46 -66.64 0.89 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.514 ' HE ' HE22 ' A' ' 17' ' ' GLN . 7.7 tpp85 -75.5 157.41 34.02 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.409 -2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.498 1.964 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -59.06 -26.19 64.4 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 124.188 0.93 . . . . 0.0 111.908 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -33.71 9.34 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.267 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.11 -27.85 69.03 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -69.95 -19.26 63.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 124.193 0.933 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.77 -41.59 36.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -71.87 -30.5 65.49 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.029 -1.441 . . . . 0.0 108.5 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.425 HH12 ' N ' ' A' ' 13' ' ' TRP . 10.7 tpt85 -71.73 -33.07 68.39 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 13' ' ' TRP . . . -85.05 17.25 3.01 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.204 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.77 -17.6 1.44 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -30.45 16.31 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 14' ' ' ARG . 1.4 p-90 -60.08 -34.52 73.56 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 124.122 0.889 . . . . 0.0 111.778 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.487 ' N ' ' CD1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -83.45 -32.49 26.02 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 124.722 1.264 . . . . 0.0 108.179 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -27.01 65.16 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 124.298 0.999 . . . . 0.0 108.782 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.439 HH22 ' NH2' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -104.06 -11.78 17.16 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 124.506 1.129 . . . . 0.0 109.576 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 42.72 26.83 0.08 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 124.895 1.372 . . . . 0.0 112.8 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.439 ' NH2' HH22 ' A' ' 16' ' ' ARG . 0.1 OUTLIER -170.03 114.98 0.51 Allowed 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.515 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.175 -2.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . 0.416 ' C4 ' ' N ' ' A' ' 2' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.416 ' N ' ' C4 ' ' A' ' 1' ' ' SIN . 39.3 m . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 120.986 0.422 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.1 -25.12 65.18 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.193 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -113.52 -6.08 13.44 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 124.302 1.001 . . . . 0.0 110.746 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.87 -22.57 66.98 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 123.535 0.522 . . . . 0.0 111.705 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.46 HH22 ' HE1' ' A' ' 13' ' ' TRP . 1.9 tpm_? -66.3 -27.54 68.0 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.62 0.575 . . . . 0.0 110.11 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.2 tpt85 -74.94 -38.23 61.8 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.456 HD22 HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.17 -31.84 66.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 124.33 1.019 . . . . 0.0 108.572 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.456 HH21 HD22 ' A' ' 8' ' ' ASN . 0.0 OUTLIER -71.65 -31.42 66.82 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -76.14 -36.86 58.6 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -70.28 -21.77 62.92 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -72.87 -52.7 13.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 124.206 0.941 . . . . 0.0 108.664 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.522 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.9 p-90 -71.36 -22.31 61.92 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 118.393 -1.323 . . . . 0.0 110.24 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.401 HH12 ' HN2' ' A' ' 19' ' ' NH2 . 1.2 ttp85 -75.2 -39.81 59.83 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.34 -25.9 62.59 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -79.85 -30.86 40.42 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.318 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -122.85 68.97 0.98 Allowed 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -60.32 131.21 50.06 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.273 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.401 ' HN2' HH12 ' A' ' 14' ' ' ARG . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.51 -1.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 4' ' ' GLN . 4.5 m . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 120.866 0.365 . . . . 0.0 110.116 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -73.11 10.42 0.95 Allowed 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 2' ' ' THR . 77.7 mt-30 -128.57 -55.11 1.24 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.34 -62.81 1.24 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 -70.01 -7.57 42.02 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 123.811 0.695 . . . . 0.0 110.684 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -91.1 -29.21 17.43 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -68.09 -45.68 73.08 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 124.021 0.826 . . . . 0.0 109.803 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -30.4 68.8 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.57 60.34 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -73.84 -34.33 64.5 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -65.86 -43.95 86.86 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -62.25 -39.1 91.74 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 114.165 -1.379 . . . . 0.0 108.052 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -64.7 -35.35 80.77 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.69 1.244 . . . . 0.0 110.009 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.21 -18.71 63.93 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -88.02 -53.01 4.95 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -79.22 10.16 3.89 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.353 -1.294 . . . . 0.0 112.542 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -53.34 -25.22 14.31 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-O 121.735 0.779 . . . . 0.0 112.989 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.086 -2.259 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.499 2.022 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -101.93 0.82 35.99 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.38 8.37 0.22 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 123.382 0.426 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.491 ' N ' ' HB3' ' A' ' 8' ' ' ASN . . . -69.78 169.29 13.27 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.573 ' HE ' ' NH1' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -67.62 -31.82 72.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 102.309 -3.219 . . . . 0.0 102.309 179.14 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.45 ' HA ' ' HE ' ' A' ' 7' ' ' ARG . 2.6 tpm_? -78.05 -34.99 50.16 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 104.252 -2.499 . . . . 0.0 104.252 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.548 HD22 ' CZ ' ' A' ' 12' ' ' ARG . 27.9 t30 -64.4 -24.82 67.77 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.177 -1.409 . . . . 0.0 108.644 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.573 ' NH1' ' HE ' ' A' ' 6' ' ' ARG . 19.1 ttm180 -60.28 -47.09 87.5 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.67 -29.98 66.46 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 114.434 -1.257 . . . . 0.0 109.019 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -68.27 -31.55 71.09 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.548 ' CZ ' HD22 ' A' ' 8' ' ' ASN . 12.0 tpp180 -76.46 -38.88 54.71 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -58.55 -38.29 77.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 124.233 0.958 . . . . 0.0 108.418 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -71.37 -41.06 70.17 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -17.99 65.04 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.301 1.001 . . . . 0.0 110.466 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -96.6 -28.51 14.32 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -65.22 -35.39 80.92 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.411 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.34 8.17 7.14 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.691 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.01 -2.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.479 ' H ' ' HE ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -54.66 -37.08 65.29 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 123.733 0.646 . . . . 0.0 112.016 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.75 29.83 6.4 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 124.191 0.932 . . . . 0.0 111.315 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.19 -58.38 5.54 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.682 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.419 ' CD ' ' H ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -67.45 -14.39 62.89 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.519 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.535 ' HE ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -82.5 -39.47 22.39 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.37 -30.47 57.57 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.004 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -69.88 -49.08 55.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 124.527 1.142 . . . . 0.0 108.218 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.447 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . . . -59.46 -41.05 88.81 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.593 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HE ' ' HE ' ' A' ' 7' ' ' ARG . 39.6 ttp85 -67.5 -27.74 67.24 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 124.598 1.186 . . . . 0.0 108.722 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -49.85 53.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 124.026 0.829 . . . . 0.0 110.745 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.447 ' CE3' ' HA ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -66.72 -37.32 84.46 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.096 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -29.46 65.95 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 124.735 1.272 . . . . 0.0 110.504 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -32.28 69.98 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.97 2.24 48.77 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.958 -1.473 . . . . 0.0 107.993 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 42.95 24.43 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 10.74 85.29 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.336 -2.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.2 m . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -41.6 98.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 123.829 0.706 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -75.92 -33.13 59.87 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.04 -13.81 60.91 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.179 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -67.87 -31.3 71.01 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.542 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -71.94 -33.83 68.53 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.31 -30.53 67.54 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 114.484 -1.235 . . . . 0.0 108.003 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.565 HH12 ' NE ' ' A' ' 12' ' ' ARG . 3.1 tpt85 -70.41 -30.28 67.11 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HA ' ' CD1' ' A' ' 13' ' ' TRP . . . -75.42 -33.46 60.95 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -70.6 -17.96 62.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 124.818 1.324 . . . . 0.0 108.466 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.565 ' NE ' HH12 ' A' ' 9' ' ' ARG . 50.9 mtp85 -84.93 -46.27 11.42 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.504 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.526 ' CD1' ' HA ' ' A' ' 10' ' ' ALA . 2.4 p-90 -74.59 -23.07 58.69 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.631 -1.628 . . . . 0.0 111.76 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -27.06 39.81 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.57 -43.69 63.08 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -69.37 -25.13 64.02 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.585 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.99 -19.75 64.62 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 124.031 0.832 . . . . 0.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -66.28 155.32 37.51 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.979 0.895 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.408 -2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . 0.401 ' C4 ' ' N ' ' A' ' 2' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.442 ' H ' ' NH1' ' A' ' 3' ' ' ARG . 1.9 m . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.471 HH11 ' H ' ' A' ' 3' ' ' ARG . 1.0 OUTLIER -65.86 -50.75 63.42 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.44 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.2 -17.27 64.35 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.895 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.37 -19.54 15.2 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 124.026 0.829 . . . . 0.0 111.811 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -62.47 -37.4 85.77 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 123.805 0.691 . . . . 0.0 110.118 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -76.07 -33.52 59.55 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -67.35 -33.86 76.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 124.616 1.198 . . . . 0.0 109.014 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -71.61 -43.16 66.71 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.494 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . . . -65.5 -29.96 70.67 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.724 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -79.22 -28.25 42.51 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.846 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.4 mtm-85 -69.57 -41.64 75.57 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.062 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.494 ' CE3' ' HA ' ' A' ' 10' ' ' ALA . 1.1 m0 -69.86 -41.7 74.51 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -53.03 -35.07 59.05 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.201 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.53 -53.11 31.31 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.561 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 2.52 31.35 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.733 0.646 . . . . 0.0 112.332 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -23.09 63.82 Favored 'General case' 0 N--CA 1.5 2.027 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.352 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.37 -24.33 0.17 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 124.183 0.927 . . . . 0.0 109.642 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.329 -2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -38.69 87.07 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 124.448 1.092 . . . . 0.0 109.205 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -64.77 -24.51 67.58 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.482 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.48 -18.4 19.05 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.679 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -75.04 -36.37 61.85 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 124.049 0.843 . . . . 0.0 110.448 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -71.35 -33.42 69.57 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -74.68 -37.31 62.7 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 114.005 -1.452 . . . . 0.0 108.966 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.44 HH12 ' HE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -65.76 -40.56 92.18 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.973 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.534 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -72.05 -35.5 69.35 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.047 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -67.31 -31.19 71.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 124.624 1.203 . . . . 0.0 107.972 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' HE ' HH12 ' A' ' 9' ' ' ARG . 58.7 mtp85 -72.38 -52.0 18.0 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.534 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.5 p-90 -71.5 -21.89 61.87 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.845 -1.542 . . . . 0.0 110.505 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -42.01 58.63 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.4 77.92 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 124.365 1.04 . . . . 0.0 108.638 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -41.64 81.17 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -82.65 -2.38 53.81 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.416 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 63.62 -173.12 0.16 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 121.816 0.817 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 118.796 -2.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 120.78 0.324 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -66.07 -48.69 70.17 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.872 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -85.71 8.57 19.22 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 123.762 0.664 . . . . 0.0 111.383 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.14 31.22 0.5 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 121.489 0.661 . . . . 0.0 111.26 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -36.6 72.89 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.015 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -69.77 -32.74 71.4 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.412 HD21 ' NH2' ' A' ' 11' ' ' ARG . 14.9 t-20 -65.39 -35.72 81.8 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -31.34 72.2 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 114.565 -1.198 . . . . 0.0 108.747 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.77 -38.55 80.12 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' NH2' HD21 ' A' ' 8' ' ' ASN . 0.4 OUTLIER -68.06 -37.39 81.24 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.002 -1.454 . . . . 0.0 108.672 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -41.86 92.33 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.641 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -67.81 -29.67 68.9 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.742 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -29.1 58.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.267 0.979 . . . . 0.0 108.641 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.1 -33.55 70.27 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -27.13 31.12 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.517 -1.674 . . . . 0.0 108.335 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.46 80.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -72.6 143.49 48.2 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.752 -1.113 . . . . 0.0 109.952 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.365 -2.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . 0.4 ' C4 ' ' N ' ' A' ' 2' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.4 ' N ' ' C4 ' ' A' ' 1' ' ' SIN . 90.6 m . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 120.926 0.393 . . . . 0.0 111.445 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -65.27 -34.71 78.99 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.588 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -99.69 3.83 45.25 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.63 56.92 4.12 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -73.79 -31.76 63.44 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.352 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.567 HH21 HD22 ' A' ' 8' ' ' ASN . 25.3 mtm180 -69.0 -38.08 79.08 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.567 HD22 HH21 ' A' ' 7' ' ' ARG . 6.7 m-80 -68.9 -44.85 72.32 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 113.182 -1.826 . . . . 0.0 107.968 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -27.98 69.69 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.951 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -69.93 -36.18 75.13 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.442 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -67.05 -25.18 66.13 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 124.694 1.246 . . . . 0.0 108.219 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -77.06 -49.96 14.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 124.231 0.957 . . . . 0.0 110.572 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.526 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.8 p-90 -72.53 -19.41 61.52 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -80.49 -45.52 17.39 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.43 91.09 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.528 ' HE ' ' HN2' ' A' ' 19' ' ' NH2 . 16.0 ttp180 -83.54 -12.64 55.93 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 113.851 -1.522 . . . . 0.0 108.832 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 38.57 48.96 1.35 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 124.497 1.123 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 16' ' ' ARG . 8.4 tpt180 56.86 44.94 22.38 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.532 -1.667 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.528 ' HN2' ' HE ' ' A' ' 16' ' ' ARG . . . . . . . . 0 C--N 1.303 -1.416 0 O-C-N 119.032 -2.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.24 70.56 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.34 5.94 39.63 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.43 17.02 0.41 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.893 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -56.42 -30.03 62.31 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 123.289 0.368 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -35.33 63.98 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -71.66 -30.33 65.6 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.98 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -29.02 47.72 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.79 -34.99 67.28 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -73.02 -34.34 66.31 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 113.401 -1.727 . . . . 0.0 106.536 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -67.65 -38.94 84.52 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -68.05 -38.53 82.58 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.746 -1.115 . . . . 0.0 108.291 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -29.37 68.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 124.295 0.997 . . . . 0.0 108.417 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.64 -40.37 66.46 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -67.93 -32.13 72.36 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.016 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.438 HE22 ' HE ' ' A' ' 18' ' ' ARG . 4.9 tm0? -74.48 -37.35 63.21 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.419 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HE ' HE22 ' A' ' 17' ' ' GLN . 5.6 mtm180 -166.43 122.29 1.23 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.71 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.385 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.464 ' HE ' HE22 ' A' ' 4' ' ' GLN . 55.3 ttp180 -66.81 -30.95 71.28 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.464 HE22 ' HE ' ' A' ' 3' ' ' ARG . 4.7 mp0 -106.92 26.79 9.66 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.843 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.39 -31.59 61.94 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.943 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -71.41 -26.38 62.74 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 123.757 0.661 . . . . 0.0 109.944 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -77.54 -39.88 44.43 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -62.64 -54.07 45.01 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.444 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -63.55 -28.84 70.21 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 124.056 0.848 . . . . 0.0 110.984 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -32.65 70.96 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.144 0.902 . . . . 0.0 109.349 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.456 ' NH2' HH22 ' A' ' 12' ' ' ARG . 9.4 mtp180 -70.98 -21.1 62.35 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.902 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.456 HH22 ' NH2' ' A' ' 11' ' ' ARG . 8.7 mmt180 -90.27 -30.8 17.29 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -65.68 -42.17 91.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 124.405 1.065 . . . . 0.0 110.668 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -11.11 60.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 124.17 0.919 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.48 -14.93 15.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.388 1.055 . . . . 0.0 108.308 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.37 -18.58 16.69 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.473 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.465 ' NE2' ' H ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -51.56 -25.31 6.55 Favored 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.465 ' H ' ' NE2' ' A' ' 17' ' ' GLN . 9.8 mmt180 -142.19 153.55 44.11 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 119.466 -2.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.501 2.079 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -39.45 -34.33 0.21 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 124.774 1.296 . . . . 0.0 113.292 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -128.77 -30.29 2.29 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 124.363 1.039 . . . . 0.0 110.714 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.11 -21.01 65.9 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.46 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 -72.05 -38.16 69.53 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 123.75 0.656 . . . . 0.0 109.694 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.42 -34.36 70.24 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.416 HD22 ' HE ' ' A' ' 12' ' ' ARG . 2.7 t-20 -67.31 -48.62 67.05 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.223 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -63.98 -25.89 68.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 124.677 1.235 . . . . 0.0 111.055 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -76.74 -42.87 39.43 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -68.66 -24.51 64.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 124.548 1.155 . . . . 0.0 107.894 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.416 ' HE ' HD22 ' A' ' 8' ' ' ASN . 22.6 mtt-85 -73.28 -53.07 11.77 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.859 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.526 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.26 -23.03 63.8 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.334 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -73.7 -37.52 65.16 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.76 70.29 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.02 -14.35 50.87 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.979 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.7 -56.39 18.14 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 123.719 0.637 . . . . 0.0 109.88 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 55.23 88.08 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 124.809 1.318 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.094 -2.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.498 1.97 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.484 HH21 HH22 ' A' ' 6' ' ' ARG . 16.4 mmm180 -58.83 -54.23 49.44 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 123.986 0.803 . . . . 0.0 109.495 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.547 ' H ' HE21 ' A' ' 4' ' ' GLN . 0.9 OUTLIER -66.16 -25.17 66.83 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.26 62.34 7.37 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.446 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.484 HH22 HH21 ' A' ' 3' ' ' ARG . 32.7 mmt180 -68.96 -29.07 67.22 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.1 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.6 ptm85 -75.04 -37.41 61.73 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -68.58 -31.34 70.47 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 114.024 -1.444 . . . . 0.0 108.533 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -25.75 67.6 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.12 78.8 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.955 0.784 . . . . 0.0 108.949 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -74.15 -36.98 64.16 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -69.92 -23.37 63.21 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 113.499 -1.682 . . . . 0.0 109.397 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -73.74 -31.91 63.6 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.16 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -87.64 -30.7 20.23 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.41 82.03 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -101.1 -12.25 18.96 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.041 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 46.38 56.35 6.44 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 122.345 1.069 . . . . 0.0 110.809 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -80.91 -136.92 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 118.536 -2.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -11.31 59.87 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 123.935 0.772 . . . . 0.0 111.481 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -129.07 17.72 6.1 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 124.206 0.941 . . . . 0.0 109.817 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.03 39.98 0.84 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.771 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.437 ' N ' HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -51.33 -30.48 18.64 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 115.156 -0.929 . . . . 0.0 113.299 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -79.84 -42.12 24.96 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -15.03 61.45 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.706 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.437 HH21 ' N ' ' A' ' 6' ' ' ARG . 3.4 mtm180 -78.08 -30.86 49.88 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.15 70.98 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -74.48 -31.09 62.09 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 114.058 -1.428 . . . . 0.0 108.344 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -66.35 -43.06 87.12 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -65.26 -36.7 84.94 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 114.407 -1.269 . . . . 0.0 108.038 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -62.53 -35.87 80.81 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.29 73.89 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.661 -1.154 . . . . 0.0 108.587 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -68.51 -34.28 75.6 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.851 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -71.6 -36.18 70.74 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 123.832 0.708 . . . . 0.0 109.656 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.92 137.48 13.11 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.146 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.101 -2.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 m . . . . . 0 N--CA 1.499 2.009 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -64.93 -20.79 66.64 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 124.325 1.016 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -125.88 31.3 5.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.086 0.866 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.53 51.42 2.22 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -31.32 68.59 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.365 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.446 HH12 ' NH1' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -74.65 -44.22 51.45 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -64.93 -24.44 67.52 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.71 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -30.95 71.56 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.546 ' HA ' ' CD1' ' A' ' 13' ' ' TRP . . . -68.26 -46.29 70.82 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' NH1' HH12 ' A' ' 7' ' ' ARG . 34.5 ttp180 -63.36 -24.12 67.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.65 1.219 . . . . 0.0 108.297 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -77.09 -47.45 20.48 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.591 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.546 ' CD1' ' HA ' ' A' ' 10' ' ' ALA . 2.2 p-90 -76.24 -17.15 59.63 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 118.267 -1.373 . . . . 0.0 109.893 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -74.25 -42.05 60.31 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.52 -34.89 67.91 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.46 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -63.84 -44.0 94.5 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.121 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -88.64 -5.28 58.25 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.987 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mtm-85 54.43 27.09 7.77 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 122.128 0.966 . . . . 0.0 111.667 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.182 -2.199 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 . . . . . 0 N--CA 1.498 1.927 0 CA-C-O 120.786 0.327 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -71.62 -35.84 70.58 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -73.19 -35.59 66.4 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.701 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -66.96 -34.68 78.3 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.65 -31.51 68.46 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -30.32 66.04 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.227 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HE ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -75.81 -35.79 59.93 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -69.76 -30.08 67.57 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -74.3 -35.31 63.69 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.59 -16.74 61.24 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 . . . . . 0 N--CA 1.496 1.835 0 CA-C-N 114.396 -1.275 . . . . 0.0 108.024 179.715 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.497 HH21 ' NH2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.971 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.497 ' NH2' HH21 ' A' ' 6' ' ' ARG . 76.7 mtt-85 -72.12 -40.53 68.05 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -69.81 -20.37 63.45 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 113.747 -1.57 . . . . 0.0 108.507 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -87.39 -19.99 27.32 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 114.231 -1.349 . . . . 0.0 109.833 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.0 -38.22 18.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 124.231 0.957 . . . . 0.0 109.813 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -32.52 60.19 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 124.023 0.827 . . . . 0.0 110.218 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -31.74 62.14 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -70.85 -40.57 72.26 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -62.07 -40.51 96.05 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.35 85.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.457 1.098 . . . . 0.0 108.782 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.9 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.475 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 120.524 0.202 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -72.84 -35.52 67.27 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -64.37 -34.22 77.66 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.756 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.467 HH21 ' HE1' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -58.03 -39.8 79.27 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 124.375 1.047 . . . . 0.0 109.117 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 13' ' ' TRP . . . -62.04 -37.48 85.11 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.647 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.505 ' HE ' ' HB2' ' A' ' 14' ' ' ARG . 2.4 tpm_? -65.8 -25.06 67.06 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.602 1.189 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.571 ' HE ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -71.71 -46.95 57.09 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 123.65 0.594 . . . . 0.0 109.953 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.467 ' HE1' HH21 ' A' ' 9' ' ' ARG . 0.1 OUTLIER -65.94 -38.55 88.92 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.505 ' HB2' ' HE ' ' A' ' 11' ' ' ARG . 22.8 mmm-85 -59.83 -37.55 79.54 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 124.819 1.324 . . . . 0.0 110.2 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.75 68.47 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.155 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.77 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.076 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -36.82 33.73 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 113.726 -1.579 . . . . 0.0 107.979 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.96 -38.11 87.73 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.391 1.057 . . . . 0.0 109.635 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -60.68 -43.69 97.41 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 124.383 1.052 . . . . 0.0 110.133 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.91 83.0 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.804 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.408 HH12 ' CZ ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -70.62 -21.68 62.62 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.502 179.824 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -44.37 70.07 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -67.14 -44.13 80.59 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.583 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.408 ' CZ ' HH12 ' A' ' 11' ' ' ARG . 46.9 mtp180 -68.44 -22.19 64.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.18 -32.67 63.18 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 . . . . . 0 N--CA 1.496 1.856 0 O-C-N 124.371 1.044 . . . . 0.0 111.214 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 120.628 0.252 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.77 -41.59 36.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -71.87 -30.5 65.49 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.029 -1.441 . . . . 0.0 108.5 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.449 HH12 ' N ' ' A' ' 13' ' ' TRP . 10.7 tpt85 -71.73 -33.07 68.39 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 13' ' ' TRP . . . -85.05 17.25 3.01 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.204 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.77 -17.6 1.44 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -30.45 16.31 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 14' ' ' ARG . 1.4 p-90 -60.08 -34.52 73.56 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 124.122 0.889 . . . . 0.0 111.778 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.487 ' N ' ' CD1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -83.45 -32.49 26.02 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 124.722 1.264 . . . . 0.0 108.179 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -27.01 65.16 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 124.298 0.999 . . . . 0.0 108.782 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.826 0 O-C-N 124.506 1.129 . . . . 0.0 109.576 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.504 HH22 ' HE1' ' A' ' 13' ' ' TRP . 1.9 tpm_? . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' NH1' ' HB3' ' A' ' 10' ' ' ALA . 23.2 tpt85 -74.94 -38.23 61.8 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.504 HD21 HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.17 -31.84 66.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 124.33 1.019 . . . . 0.0 108.572 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.504 HH21 HD21 ' A' ' 8' ' ' ASN . 0.0 OUTLIER -71.65 -31.42 66.82 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -76.14 -36.86 58.6 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.43 HH12 ' HE ' ' A' ' 14' ' ' ARG . 7.4 mmm180 -70.28 -21.77 62.92 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -72.87 -52.7 13.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 124.206 0.941 . . . . 0.0 108.664 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.579 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.9 p-90 -71.36 -22.31 61.92 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 118.393 -1.323 . . . . 0.0 110.24 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' HE ' HH12 ' A' ' 11' ' ' ARG . 1.2 ttp85 -75.2 -39.81 59.83 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.34 -25.9 62.59 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 . . . . . 0 N--CA 1.494 1.735 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.318 179.746 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 120.873 0.368 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -91.1 -29.21 17.43 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -68.09 -45.68 73.08 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 124.021 0.826 . . . . 0.0 109.803 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -30.4 68.8 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.57 60.34 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -73.84 -34.33 64.5 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -65.86 -43.95 86.86 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -62.25 -39.1 91.74 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 114.165 -1.379 . . . . 0.0 108.052 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -64.7 -35.35 80.77 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.69 1.244 . . . . 0.0 110.009 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.21 -18.71 63.93 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.866 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.627 ' HE ' HH22 ' A' ' 9' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 102.309 -3.219 . . . . 0.0 102.309 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.599 ' HE ' ' HB3' ' A' ' 10' ' ' ALA . 2.6 tpm_? -78.05 -34.99 50.16 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 104.252 -2.499 . . . . 0.0 104.252 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.592 HD21 ' CZ ' ' A' ' 12' ' ' ARG . 27.9 t30 -64.4 -24.82 67.77 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.177 -1.409 . . . . 0.0 108.644 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.627 HH22 ' HE ' ' A' ' 6' ' ' ARG . 19.1 ttm180 -60.28 -47.09 87.5 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.599 ' HB3' ' HE ' ' A' ' 7' ' ' ARG . . . -70.67 -29.98 66.46 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 114.434 -1.257 . . . . 0.0 109.019 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -68.27 -31.55 71.09 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.592 ' CZ ' HD21 ' A' ' 8' ' ' ASN . 12.0 tpp180 -76.46 -38.88 54.71 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -58.55 -38.29 77.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 124.233 0.958 . . . . 0.0 108.418 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -71.37 -41.06 70.17 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -17.99 65.04 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.301 1.001 . . . . 0.0 110.466 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 . . . . . 0 N--CA 1.496 1.83 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 120.554 0.216 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.606 ' HE ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -82.5 -39.47 22.39 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.528 HD22 ' NH2' ' A' ' 9' ' ' ARG . 7.4 p30 -76.37 -30.47 57.57 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.004 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.528 ' NH2' HD22 ' A' ' 8' ' ' ASN . 2.2 tpp180 -69.88 -49.08 55.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 124.527 1.142 . . . . 0.0 108.218 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . . . -59.46 -41.05 88.81 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.593 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.606 ' HE ' ' HE ' ' A' ' 7' ' ' ARG . 39.6 ttp85 -67.5 -27.74 67.24 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 124.598 1.186 . . . . 0.0 108.722 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.419 HH21 HH12 ' A' ' 16' ' ' ARG . 0.0 OUTLIER -69.03 -49.85 53.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 124.026 0.829 . . . . 0.0 110.745 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.467 ' CE3' ' HA ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -66.72 -37.32 84.46 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.096 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -70.52 -29.46 65.95 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 124.735 1.272 . . . . 0.0 110.504 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -32.28 69.98 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.419 HH12 HH21 ' A' ' 12' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-N 113.958 -1.473 . . . . 0.0 107.993 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.427 ' HE ' ' HB3' ' A' ' 9' ' ' ARG . 5.6 tpm_? . . . . . 0 N--CA 1.494 1.735 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -71.94 -33.83 68.53 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.439 HD22 ' H ' ' A' ' 8' ' ' ASN . 2.7 m-80 -70.31 -30.53 67.54 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 114.484 -1.235 . . . . 0.0 108.003 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.733 HH12 ' HE ' ' A' ' 12' ' ' ARG . 3.1 tpt85 -70.41 -30.28 67.11 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -75.42 -33.46 60.95 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -70.6 -17.96 62.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 124.818 1.324 . . . . 0.0 108.466 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.733 ' HE ' HH12 ' A' ' 9' ' ' ARG . 50.9 mtp85 -84.93 -46.27 11.42 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.504 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 2.4 p-90 -74.59 -23.07 58.69 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.631 -1.628 . . . . 0.0 111.76 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.601 ' HE ' ' CA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -79.95 -27.06 39.81 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.601 ' CA ' ' HE ' ' A' ' 14' ' ' ARG . . . -72.57 -43.69 63.08 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 . . . . . 0 N--CA 1.496 1.83 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.585 179.79 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -76.07 -33.52 59.55 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -67.35 -33.86 76.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 124.616 1.198 . . . . 0.0 109.014 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -71.61 -43.16 66.71 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.52 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . . . -65.5 -29.96 70.67 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.724 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -79.22 -28.25 42.51 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.846 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.4 mtm-85 -69.57 -41.64 75.57 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.062 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.52 ' CE3' ' HA ' ' A' ' 10' ' ' ALA . 1.1 m0 -69.86 -41.7 74.51 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' NH2' ' HB1' ' A' ' 10' ' ' ALA . 14.1 mtt85 -53.03 -35.07 59.05 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.201 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.53 -53.11 31.31 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.561 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.969 0 O-C-N 123.733 0.646 . . . . 0.0 112.332 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 . . . . . 0 N--CA 1.5 2.067 0 CA-C-O 120.676 0.274 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -71.35 -33.42 69.57 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -74.68 -37.31 62.7 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 114.005 -1.452 . . . . 0.0 108.966 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.482 HH12 ' HE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -65.76 -40.56 92.18 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.973 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -72.05 -35.5 69.35 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.047 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -67.31 -31.19 71.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 124.624 1.203 . . . . 0.0 107.972 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' HE ' HH12 ' A' ' 9' ' ' ARG . 58.7 mtp85 -72.38 -52.0 18.0 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.5 p-90 -71.5 -21.89 61.87 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.845 -1.542 . . . . 0.0 110.505 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -42.01 58.63 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.4 77.92 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 124.365 1.04 . . . . 0.0 108.638 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -69.77 -32.74 71.4 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.438 HD22 ' NH2' ' A' ' 11' ' ' ARG . 14.9 t-20 -65.39 -35.72 81.8 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -31.34 72.2 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 114.565 -1.198 . . . . 0.0 108.747 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HB2' ' NH1' ' A' ' 6' ' ' ARG . . . -68.77 -38.55 80.12 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.438 ' NH2' HD22 ' A' ' 8' ' ' ASN . 0.4 OUTLIER -68.06 -37.39 81.24 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.002 -1.454 . . . . 0.0 108.672 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -41.86 92.33 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.641 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -67.81 -29.67 68.9 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.742 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -29.1 58.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.267 0.979 . . . . 0.0 108.641 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.1 -33.55 70.27 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-N 113.517 -1.674 . . . . 0.0 108.335 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -69.0 -38.08 79.08 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -68.9 -44.85 72.32 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 113.182 -1.826 . . . . 0.0 107.968 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -27.98 69.69 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.951 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.56 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -69.93 -36.18 75.13 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.442 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -67.05 -25.18 66.13 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 124.694 1.246 . . . . 0.0 108.219 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -77.06 -49.96 14.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 124.231 0.957 . . . . 0.0 110.572 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.56 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.8 p-90 -72.53 -19.41 61.52 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -80.49 -45.52 17.39 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.43 91.09 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 . . . . . 0 N--CA 1.493 1.722 0 CA-C-N 113.851 -1.522 . . . . 0.0 108.832 179.795 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 120.836 0.35 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -35.33 63.98 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -71.66 -30.33 65.6 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.98 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -29.02 47.72 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.79 -34.99 67.28 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -73.02 -34.34 66.31 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 113.401 -1.727 . . . . 0.0 106.536 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -67.65 -38.94 84.52 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -68.05 -38.53 82.58 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.746 -1.115 . . . . 0.0 108.291 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -29.37 68.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 124.295 0.997 . . . . 0.0 108.417 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.64 -40.37 66.46 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 . . . . . 0 N--CA 1.495 1.823 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.016 179.85 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 121.109 0.481 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -77.54 -39.88 44.43 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -62.64 -54.07 45.01 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.444 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -63.55 -28.84 70.21 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 124.056 0.848 . . . . 0.0 110.984 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -32.65 70.96 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.144 0.902 . . . . 0.0 109.349 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.476 ' NH2' HH22 ' A' ' 12' ' ' ARG . 9.4 mtp180 -70.98 -21.1 62.35 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.902 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.476 HH22 ' NH2' ' A' ' 11' ' ' ARG . 8.7 mmt180 -90.27 -30.8 17.29 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -65.68 -42.17 91.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 124.405 1.065 . . . . 0.0 110.668 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -11.11 60.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 124.17 0.919 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.48 -14.93 15.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.388 1.055 . . . . 0.0 108.308 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.82 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.473 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.42 -34.36 70.24 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -67.31 -48.62 67.05 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.223 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -63.98 -25.89 68.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 124.677 1.235 . . . . 0.0 111.055 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.565 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -76.74 -42.87 39.43 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -68.66 -24.51 64.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 124.548 1.155 . . . . 0.0 107.894 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -73.28 -53.07 11.77 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.859 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.565 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.26 -23.03 63.8 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.334 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -73.7 -37.52 65.16 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.76 70.29 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 . . . . . 0 N--CA 1.5 2.057 0 CA-C-O 120.803 0.335 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.6 ptm85 -75.04 -37.41 61.73 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -68.58 -31.34 70.47 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 114.024 -1.444 . . . . 0.0 108.533 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -25.75 67.6 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.12 78.8 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.955 0.784 . . . . 0.0 108.949 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -74.15 -36.98 64.16 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -69.92 -23.37 63.21 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 113.499 -1.682 . . . . 0.0 109.397 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -73.74 -31.91 63.6 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.16 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -87.64 -30.7 20.23 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.41 82.03 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? . . . . . 0 N--CA 1.495 1.777 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.041 179.795 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.462 ' N ' HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -79.84 -42.12 24.96 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -15.03 61.45 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.706 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.462 HH21 ' N ' ' A' ' 6' ' ' ARG . 3.4 mtm180 -78.08 -30.86 49.88 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.15 70.98 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -74.48 -31.09 62.09 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 114.058 -1.428 . . . . 0.0 108.344 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -66.35 -43.06 87.12 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -65.26 -36.7 84.94 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 114.407 -1.269 . . . . 0.0 108.038 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -62.53 -35.87 80.81 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.29 73.89 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.661 -1.154 . . . . 0.0 108.587 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 N--CA 1.495 1.809 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.851 179.85 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.019 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.466 HH12 ' NH1' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -74.65 -44.22 51.45 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -64.93 -24.44 67.52 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.71 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -30.95 71.56 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.556 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -68.26 -46.29 70.82 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.466 ' NH1' HH12 ' A' ' 7' ' ' ARG . 34.5 ttp180 -63.36 -24.12 67.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.65 1.219 . . . . 0.0 108.297 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -77.09 -47.45 20.48 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.591 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.556 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 2.2 p-90 -76.24 -17.15 59.63 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 118.267 -1.373 . . . . 0.0 109.893 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -74.25 -42.05 60.31 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.52 -34.89 67.91 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.46 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 . . . . . 0 N--CA 1.498 1.93 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.121 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.8 m . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 120.868 0.366 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -68.04 -9.13 43.54 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.132 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -130.74 20.84 5.05 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.26 77.7 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.773 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -62.59 -25.93 68.34 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.309 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -71.62 -35.84 70.58 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -73.19 -35.59 66.4 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.701 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -66.96 -34.68 78.3 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.65 -31.51 68.46 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -30.32 66.04 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.227 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HE ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -75.81 -35.79 59.93 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -69.76 -30.08 67.57 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -74.3 -35.31 63.69 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.59 -16.74 61.24 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -99.11 -14.68 19.28 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 114.396 -1.275 . . . . 0.0 108.024 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -133.58 68.21 1.5 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.412 ' HB2' HH11 ' A' ' 18' ' ' ARG . 0.0 OUTLIER -73.91 146.68 43.82 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.904 -1.043 . . . . 0.0 110.113 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 119.263 -2.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.504 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.5 2.043 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.41 ' HG2' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -64.36 -51.17 64.66 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -71.38 -34.8 70.74 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.231 -1.35 . . . . 0.0 107.723 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 2' ' ' THR . . . -90.99 57.52 3.51 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.497 HH21 ' NH2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -57.18 -28.83 63.15 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.747 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.497 ' NH2' HH21 ' A' ' 6' ' ' ARG . 76.7 mtt-85 -72.12 -40.53 68.05 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' HB2' ' HB1' ' A' ' 5' ' ' ALA . 4.4 t-20 -69.81 -20.37 63.45 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 113.747 -1.57 . . . . 0.0 108.507 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -87.39 -19.99 27.32 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 114.231 -1.349 . . . . 0.0 109.833 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.0 -38.22 18.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 124.231 0.957 . . . . 0.0 109.813 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -32.52 60.19 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 124.023 0.827 . . . . 0.0 110.218 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -31.74 62.14 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -70.85 -40.57 72.26 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -62.07 -40.51 96.05 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.35 85.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.457 1.098 . . . . 0.0 108.782 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -31.06 70.48 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.475 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.33 -11.43 46.35 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.297 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.99 -175.37 0.06 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 124.274 0.984 . . . . 0.0 112.098 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.005 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -53.3 -36.17 60.93 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 124.472 1.108 . . . . 0.0 111.214 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -98.81 -33.09 11.03 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.359 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 8' ' ' ASN . . . -95.99 53.1 1.35 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.934 0.873 . . . . 0.0 109.368 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -69.53 -38.47 77.54 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.36 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -72.84 -35.52 67.27 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.452 ' HB2' ' HB1' ' A' ' 5' ' ' ALA . 8.9 m120 -64.37 -34.22 77.66 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.756 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.467 HH21 ' HE1' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -58.03 -39.8 79.27 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 124.375 1.047 . . . . 0.0 109.117 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 13' ' ' TRP . . . -62.04 -37.48 85.11 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.647 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.505 ' HE ' ' HB2' ' A' ' 14' ' ' ARG . 2.4 tpm_? -65.8 -25.06 67.06 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.602 1.189 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.571 ' HE ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -71.71 -46.95 57.09 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 123.65 0.594 . . . . 0.0 109.953 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.467 ' HE1' HH21 ' A' ' 9' ' ' ARG . 0.1 OUTLIER -65.94 -38.55 88.92 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.505 ' HB2' ' HE ' ' A' ' 11' ' ' ARG . 22.8 mmm-85 -59.83 -37.55 79.54 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 124.819 1.324 . . . . 0.0 110.2 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.75 68.47 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.155 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -18.08 60.88 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.076 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -67.32 -32.08 72.8 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.602 0.564 . . . . 0.0 109.686 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -78.94 141.81 37.24 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 124.136 0.898 . . . . 0.0 108.848 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 119.408 -2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SIN . . . . . 0.452 ' O1 ' ' HB2' ' A' ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.503 2.216 0 CA-C-O 120.572 0.225 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.85 -25.94 31.99 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 124.599 1.187 . . . . 0.0 109.361 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.414 ' C ' ' HB2' ' A' ' 8' ' ' ASN . 1.3 tt0 -157.54 63.52 0.48 Allowed 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.425 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.452 ' HB2' ' O1 ' ' A' ' 1' ' ' SIN . . . -132.4 -80.78 0.5 Allowed 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.75 -27.01 62.69 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -36.82 33.73 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 113.726 -1.579 . . . . 0.0 107.979 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.414 ' HB2' ' C ' ' A' ' 4' ' ' GLN . 1.5 t30 -65.96 -38.11 87.73 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.391 1.057 . . . . 0.0 109.635 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -60.68 -43.69 97.41 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 124.383 1.052 . . . . 0.0 110.133 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.91 83.0 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.804 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.408 HH12 ' CZ ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -70.62 -21.68 62.62 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.502 179.824 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -44.37 70.07 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -67.14 -44.13 80.59 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.583 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' CZ ' HH12 ' A' ' 11' ' ' ARG . 46.9 mtp180 -68.44 -22.19 64.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.18 -32.67 63.18 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -93.58 -19.23 21.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.371 1.044 . . . . 0.0 111.214 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.559 HE22 ' HE ' ' A' ' 18' ' ' ARG . 1.1 tm0? -99.46 -66.64 0.89 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.559 ' HE ' HE22 ' A' ' 17' ' ' GLN . 7.7 tpp85 -75.5 157.41 34.02 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.409 -2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.498 1.964 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -59.06 -26.19 64.4 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 124.188 0.93 . . . . 0.0 111.908 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -33.71 9.34 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.267 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.11 -27.85 69.03 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -69.95 -19.26 63.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 124.193 0.933 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.77 -41.59 36.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -71.87 -30.5 65.49 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.029 -1.441 . . . . 0.0 108.5 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.449 HH12 ' N ' ' A' ' 13' ' ' TRP . 10.7 tpt85 -71.73 -33.07 68.39 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 13' ' ' TRP . . . -85.05 17.25 3.01 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.204 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.77 -17.6 1.44 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -30.45 16.31 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 14' ' ' ARG . 1.4 p-90 -60.08 -34.52 73.56 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 124.122 0.889 . . . . 0.0 111.778 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.487 ' N ' ' CD1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -83.45 -32.49 26.02 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 124.722 1.264 . . . . 0.0 108.179 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -27.01 65.16 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 124.298 0.999 . . . . 0.0 108.782 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.459 HH22 ' NH2' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -104.06 -11.78 17.16 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 124.506 1.129 . . . . 0.0 109.576 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 42.72 26.83 0.08 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 124.895 1.372 . . . . 0.0 112.8 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' NH2' HH22 ' A' ' 16' ' ' ARG . 0.1 OUTLIER -170.03 114.98 0.51 Allowed 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.515 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.175 -2.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SIN . . . . . 0.416 ' C4 ' ' N ' ' A' ' 2' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.416 ' N ' ' C4 ' ' A' ' 1' ' ' SIN . 39.3 m . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 120.986 0.422 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.1 -25.12 65.18 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.193 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -113.52 -6.08 13.44 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 124.302 1.001 . . . . 0.0 110.746 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.87 -22.57 66.98 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 123.535 0.522 . . . . 0.0 111.705 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.504 HH22 ' HE1' ' A' ' 13' ' ' TRP . 1.9 tpm_? -66.3 -27.54 68.0 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.62 0.575 . . . . 0.0 110.11 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' NH1' ' HB3' ' A' ' 10' ' ' ALA . 23.2 tpt85 -74.94 -38.23 61.8 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.504 HD21 HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.17 -31.84 66.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 124.33 1.019 . . . . 0.0 108.572 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.504 HH21 HD21 ' A' ' 8' ' ' ASN . 0.0 OUTLIER -71.65 -31.42 66.82 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -76.14 -36.86 58.6 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.43 HH12 ' HE ' ' A' ' 14' ' ' ARG . 7.4 mmm180 -70.28 -21.77 62.92 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -72.87 -52.7 13.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 124.206 0.941 . . . . 0.0 108.664 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.579 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.9 p-90 -71.36 -22.31 61.92 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 118.393 -1.323 . . . . 0.0 110.24 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' HE ' HH12 ' A' ' 11' ' ' ARG . 1.2 ttp85 -75.2 -39.81 59.83 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.34 -25.9 62.59 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -79.85 -30.86 40.42 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.318 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -122.85 68.97 0.98 Allowed 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -60.32 131.21 50.06 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.273 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.51 -1.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 120.866 0.365 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -73.11 10.42 0.95 Allowed 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -128.57 -55.11 1.24 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.34 -62.81 1.24 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 -70.01 -7.57 42.02 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 123.811 0.695 . . . . 0.0 110.684 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -91.1 -29.21 17.43 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -68.09 -45.68 73.08 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 124.021 0.826 . . . . 0.0 109.803 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -30.4 68.8 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.57 60.34 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -73.84 -34.33 64.5 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -65.86 -43.95 86.86 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -62.25 -39.1 91.74 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 114.165 -1.379 . . . . 0.0 108.052 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -64.7 -35.35 80.77 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.69 1.244 . . . . 0.0 110.009 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.21 -18.71 63.93 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -88.02 -53.01 4.95 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.22 10.16 3.89 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.353 -1.294 . . . . 0.0 112.542 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -53.34 -25.22 14.31 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-O 121.735 0.779 . . . . 0.0 112.989 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.086 -2.259 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SIN . . . . . 0.455 ' O1 ' ' HB2' ' A' ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.499 2.022 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -101.93 0.82 35.99 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.38 8.37 0.22 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 123.382 0.426 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.568 ' N ' ' HB3' ' A' ' 8' ' ' ASN . . . -69.78 169.29 13.27 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.627 ' HE ' HH22 ' A' ' 9' ' ' ARG . 0.9 OUTLIER -67.62 -31.82 72.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 102.309 -3.219 . . . . 0.0 102.309 179.14 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.599 ' HE ' ' HB3' ' A' ' 10' ' ' ALA . 2.6 tpm_? -78.05 -34.99 50.16 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 104.252 -2.499 . . . . 0.0 104.252 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.592 HD21 ' CZ ' ' A' ' 12' ' ' ARG . 27.9 t30 -64.4 -24.82 67.77 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.177 -1.409 . . . . 0.0 108.644 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.627 HH22 ' HE ' ' A' ' 6' ' ' ARG . 19.1 ttm180 -60.28 -47.09 87.5 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.599 ' HB3' ' HE ' ' A' ' 7' ' ' ARG . . . -70.67 -29.98 66.46 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 114.434 -1.257 . . . . 0.0 109.019 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -68.27 -31.55 71.09 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.592 ' CZ ' HD21 ' A' ' 8' ' ' ASN . 12.0 tpp180 -76.46 -38.88 54.71 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -58.55 -38.29 77.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 124.233 0.958 . . . . 0.0 108.418 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -71.37 -41.06 70.17 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -17.99 65.04 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.301 1.001 . . . . 0.0 110.466 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -96.6 -28.51 14.32 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -65.22 -35.39 80.92 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.411 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.34 8.17 7.14 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.691 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.01 -2.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SIN . . . . . 0.422 ' O1 ' ' HB2' ' A' ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.485 ' HB ' HH21 ' A' ' 3' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.534 ' H ' ' NE ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -54.66 -37.08 65.29 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 123.733 0.646 . . . . 0.0 112.016 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.75 29.83 6.4 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 124.191 0.932 . . . . 0.0 111.315 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.595 ' HB1' HH21 ' A' ' 9' ' ' ARG . . . -66.19 -58.38 5.54 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.682 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.511 ' CD ' ' H ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -67.45 -14.39 62.89 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.519 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.606 ' HE ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -82.5 -39.47 22.39 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.428 HD21 ' CZ ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -76.37 -30.47 57.57 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.004 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.595 HH21 ' HB1' ' A' ' 5' ' ' ALA . 2.2 tpp180 -69.88 -49.08 55.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 124.527 1.142 . . . . 0.0 108.218 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . . . -59.46 -41.05 88.81 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.593 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.606 ' HE ' ' HE ' ' A' ' 7' ' ' ARG . 39.6 ttp85 -67.5 -27.74 67.24 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 124.598 1.186 . . . . 0.0 108.722 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.419 HH21 HH12 ' A' ' 16' ' ' ARG . 0.0 OUTLIER -69.03 -49.85 53.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 124.026 0.829 . . . . 0.0 110.745 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.467 ' CE3' ' HA ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -66.72 -37.32 84.46 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.096 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -70.52 -29.46 65.95 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 124.735 1.272 . . . . 0.0 110.504 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -32.28 69.98 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.419 HH12 HH21 ' A' ' 12' ' ' ARG . 0.0 OUTLIER -97.97 2.24 48.77 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.958 -1.473 . . . . 0.0 107.993 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 42.95 24.43 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 10.74 85.29 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.336 -2.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.2 m . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -41.6 98.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 123.829 0.706 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -75.92 -33.13 59.87 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.04 -13.81 60.91 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.179 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.427 ' HE ' ' HB3' ' A' ' 9' ' ' ARG . 5.6 tpm_? -67.87 -31.3 71.01 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.542 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -71.94 -33.83 68.53 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.439 HD22 ' H ' ' A' ' 8' ' ' ASN . 2.7 m-80 -70.31 -30.53 67.54 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 114.484 -1.235 . . . . 0.0 108.003 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.733 HH12 ' HE ' ' A' ' 12' ' ' ARG . 3.1 tpt85 -70.41 -30.28 67.11 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -75.42 -33.46 60.95 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -70.6 -17.96 62.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 124.818 1.324 . . . . 0.0 108.466 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.733 ' HE ' HH12 ' A' ' 9' ' ' ARG . 50.9 mtp85 -84.93 -46.27 11.42 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.504 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 2.4 p-90 -74.59 -23.07 58.69 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.631 -1.628 . . . . 0.0 111.76 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.601 ' HE ' ' CA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -79.95 -27.06 39.81 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.601 ' CA ' ' HE ' ' A' ' 14' ' ' ARG . . . -72.57 -43.69 63.08 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -69.37 -25.13 64.02 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.585 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.99 -19.75 64.62 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 124.031 0.832 . . . . 0.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -66.28 155.32 37.51 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.979 0.895 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.408 -2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SIN . . . . . 0.401 ' C4 ' ' N ' ' A' ' 2' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.401 ' N ' ' C4 ' ' A' ' 1' ' ' SIN . 1.9 m . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.513 ' H ' HH11 ' A' ' 3' ' ' ARG . 1.0 OUTLIER -65.86 -50.75 63.42 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.44 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -17.27 64.35 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.895 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.37 -19.54 15.2 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 124.026 0.829 . . . . 0.0 111.811 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -62.47 -37.4 85.77 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 123.805 0.691 . . . . 0.0 110.118 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -76.07 -33.52 59.55 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -67.35 -33.86 76.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 124.616 1.198 . . . . 0.0 109.014 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -71.61 -43.16 66.71 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . . . -65.5 -29.96 70.67 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.724 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -79.22 -28.25 42.51 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.846 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.4 mtm-85 -69.57 -41.64 75.57 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.062 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.52 ' CE3' ' HA ' ' A' ' 10' ' ' ALA . 1.1 m0 -69.86 -41.7 74.51 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' NH2' ' HB1' ' A' ' 10' ' ' ALA . 14.1 mtt85 -53.03 -35.07 59.05 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.201 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.53 -53.11 31.31 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.561 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 2.52 31.35 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.733 0.646 . . . . 0.0 112.332 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.511 HE22 ' HB2' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -69.24 -23.09 63.82 Favored 'General case' 0 N--CA 1.5 2.027 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.352 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.37 -24.33 0.17 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 124.183 0.927 . . . . 0.0 109.642 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.329 -2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -38.69 87.07 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 124.448 1.092 . . . . 0.0 109.205 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -64.77 -24.51 67.58 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.482 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.48 -18.4 19.05 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.679 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -75.04 -36.37 61.85 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 124.049 0.843 . . . . 0.0 110.448 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -71.35 -33.42 69.57 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -74.68 -37.31 62.7 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 114.005 -1.452 . . . . 0.0 108.966 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.482 HH12 ' HE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -65.76 -40.56 92.18 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.973 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -72.05 -35.5 69.35 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.047 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -67.31 -31.19 71.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 124.624 1.203 . . . . 0.0 107.972 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' HE ' HH12 ' A' ' 9' ' ' ARG . 58.7 mtp85 -72.38 -52.0 18.0 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.5 p-90 -71.5 -21.89 61.87 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.845 -1.542 . . . . 0.0 110.505 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -42.01 58.63 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.4 77.92 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 124.365 1.04 . . . . 0.0 108.638 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -41.64 81.17 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -82.65 -2.38 53.81 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.416 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 63.62 -173.12 0.16 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 121.816 0.817 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 118.796 -2.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 120.78 0.324 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -66.07 -48.69 70.17 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.872 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -85.71 8.57 19.22 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 123.762 0.664 . . . . 0.0 111.383 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.14 31.22 0.5 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 121.489 0.661 . . . . 0.0 111.26 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -70.86 -36.6 72.89 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.015 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -69.77 -32.74 71.4 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.438 HD22 ' NH2' ' A' ' 11' ' ' ARG . 14.9 t-20 -65.39 -35.72 81.8 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -31.34 72.2 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 114.565 -1.198 . . . . 0.0 108.747 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HB2' ' NH1' ' A' ' 6' ' ' ARG . . . -68.77 -38.55 80.12 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' NH2' HD22 ' A' ' 8' ' ' ASN . 0.4 OUTLIER -68.06 -37.39 81.24 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.002 -1.454 . . . . 0.0 108.672 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -41.86 92.33 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.641 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -67.81 -29.67 68.9 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.742 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -29.1 58.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.267 0.979 . . . . 0.0 108.641 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.1 -33.55 70.27 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -27.13 31.12 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.517 -1.674 . . . . 0.0 108.335 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.46 80.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -72.6 143.49 48.2 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.752 -1.113 . . . . 0.0 109.952 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.365 -2.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SIN . . . . . 0.4 ' C4 ' ' N ' ' A' ' 2' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.454 HG22 HH12 ' A' ' 9' ' ' ARG . 90.6 m . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 120.926 0.393 . . . . 0.0 111.445 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -65.27 -34.71 78.99 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.588 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.69 3.83 45.25 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.63 56.92 4.12 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -73.79 -31.76 63.44 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.352 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -69.0 -38.08 79.08 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -68.9 -44.85 72.32 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 113.182 -1.826 . . . . 0.0 107.968 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.454 HH12 HG22 ' A' ' 2' ' ' THR . 0.4 OUTLIER -62.82 -27.98 69.69 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.951 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.56 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -69.93 -36.18 75.13 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.442 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -67.05 -25.18 66.13 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 124.694 1.246 . . . . 0.0 108.219 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -77.06 -49.96 14.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 124.231 0.957 . . . . 0.0 110.572 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.56 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.8 p-90 -72.53 -19.41 61.52 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -80.49 -45.52 17.39 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.43 91.09 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 16.0 ttp180 -83.54 -12.64 55.93 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 113.851 -1.522 . . . . 0.0 108.832 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 38.57 48.96 1.35 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 124.497 1.123 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 16' ' ' ARG . 8.4 tpt180 56.86 44.94 22.38 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.532 -1.667 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.416 0 O-C-N 119.032 -2.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.24 70.56 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.34 5.94 39.63 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.43 17.02 0.41 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.893 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -56.42 -30.03 62.31 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 123.289 0.368 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -35.33 63.98 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -71.66 -30.33 65.6 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.98 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -29.02 47.72 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.79 -34.99 67.28 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -73.02 -34.34 66.31 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 113.401 -1.727 . . . . 0.0 106.536 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -67.65 -38.94 84.52 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -68.05 -38.53 82.58 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.746 -1.115 . . . . 0.0 108.291 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -29.37 68.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 124.295 0.997 . . . . 0.0 108.417 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.64 -40.37 66.46 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -67.93 -32.13 72.36 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.016 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.486 HE22 ' HE ' ' A' ' 18' ' ' ARG . 4.9 tm0? -74.48 -37.35 63.21 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.419 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.486 ' HE ' HE22 ' A' ' 17' ' ' GLN . 5.6 mtm180 -166.43 122.29 1.23 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.71 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.385 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HE ' HE22 ' A' ' 4' ' ' GLN . 55.3 ttp180 -66.81 -30.95 71.28 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.503 HE22 ' HE ' ' A' ' 3' ' ' ARG . 4.7 mp0 -106.92 26.79 9.66 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.843 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.39 -31.59 61.94 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.943 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -71.41 -26.38 62.74 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 123.757 0.661 . . . . 0.0 109.944 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -77.54 -39.88 44.43 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -62.64 -54.07 45.01 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.444 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -63.55 -28.84 70.21 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 124.056 0.848 . . . . 0.0 110.984 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -32.65 70.96 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.144 0.902 . . . . 0.0 109.349 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.476 ' NH2' HH22 ' A' ' 12' ' ' ARG . 9.4 mtp180 -70.98 -21.1 62.35 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.902 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.476 HH22 ' NH2' ' A' ' 11' ' ' ARG . 8.7 mmt180 -90.27 -30.8 17.29 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -65.68 -42.17 91.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 124.405 1.065 . . . . 0.0 110.668 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -11.11 60.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 124.17 0.919 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.48 -14.93 15.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.388 1.055 . . . . 0.0 108.308 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.37 -18.58 16.69 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.473 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.56 -25.31 6.55 Favored 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -142.19 153.55 44.11 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 119.466 -2.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.501 2.079 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.449 ' HA ' HH21 ' A' ' 6' ' ' ARG . 77.2 mtp85 -39.45 -34.33 0.21 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 124.774 1.296 . . . . 0.0 113.292 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -128.77 -30.29 2.29 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 124.363 1.039 . . . . 0.0 110.714 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.11 -21.01 65.9 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.46 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.449 HH21 ' HA ' ' A' ' 3' ' ' ARG . 35.5 mtm105 -72.05 -38.16 69.53 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 123.75 0.656 . . . . 0.0 109.694 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.42 -34.36 70.24 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -67.31 -48.62 67.05 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.223 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -63.98 -25.89 68.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 124.677 1.235 . . . . 0.0 111.055 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.565 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -76.74 -42.87 39.43 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -68.66 -24.51 64.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 124.548 1.155 . . . . 0.0 107.894 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -73.28 -53.07 11.77 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.859 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.565 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.26 -23.03 63.8 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.334 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -73.7 -37.52 65.16 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.76 70.29 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.02 -14.35 50.87 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.979 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.7 -56.39 18.14 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 123.719 0.637 . . . . 0.0 109.88 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 55.23 88.08 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 124.809 1.318 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.094 -2.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.455 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 1.8 m . . . . . 0 N--CA 1.498 1.97 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.512 HH21 HH22 ' A' ' 6' ' ' ARG . 16.4 mmm180 -58.83 -54.23 49.44 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 123.986 0.803 . . . . 0.0 109.495 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -66.16 -25.17 66.83 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.486 ' HB1' ' CB ' ' A' ' 8' ' ' ASN . . . -86.26 62.34 7.37 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.446 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.512 HH22 HH21 ' A' ' 3' ' ' ARG . 32.7 mmt180 -68.96 -29.07 67.22 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.1 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.6 ptm85 -75.04 -37.41 61.73 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' CB ' ' HB1' ' A' ' 5' ' ' ALA . 15.4 t-20 -68.58 -31.34 70.47 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 114.024 -1.444 . . . . 0.0 108.533 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -25.75 67.6 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.12 78.8 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.955 0.784 . . . . 0.0 108.949 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -74.15 -36.98 64.16 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -69.92 -23.37 63.21 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 113.499 -1.682 . . . . 0.0 109.397 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -73.74 -31.91 63.6 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.16 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -87.64 -30.7 20.23 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.41 82.03 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -101.1 -12.25 18.96 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.041 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 46.38 56.35 6.44 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 122.345 1.069 . . . . 0.0 110.809 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -80.91 -136.92 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 118.536 -2.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -11.31 59.87 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 123.935 0.772 . . . . 0.0 111.481 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -129.07 17.72 6.1 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 124.206 0.941 . . . . 0.0 109.817 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.03 39.98 0.84 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.771 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.462 ' N ' HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -51.33 -30.48 18.64 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 115.156 -0.929 . . . . 0.0 113.299 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -79.84 -42.12 24.96 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -15.03 61.45 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.706 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.462 HH21 ' N ' ' A' ' 6' ' ' ARG . 3.4 mtm180 -78.08 -30.86 49.88 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.15 70.98 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -74.48 -31.09 62.09 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 114.058 -1.428 . . . . 0.0 108.344 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -66.35 -43.06 87.12 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -65.26 -36.7 84.94 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 114.407 -1.269 . . . . 0.0 108.038 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -62.53 -35.87 80.81 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.29 73.89 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.661 -1.154 . . . . 0.0 108.587 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -68.51 -34.28 75.6 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.851 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -71.6 -36.18 70.74 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 123.832 0.708 . . . . 0.0 109.656 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.92 137.48 13.11 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.146 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.101 -2.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 m . . . . . 0 N--CA 1.499 2.009 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -64.93 -20.79 66.64 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 124.325 1.016 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -125.88 31.3 5.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.086 0.866 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.495 ' HB1' ' HB2' ' A' ' 8' ' ' ASN . . . -87.53 51.42 2.22 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -31.32 68.59 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.365 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.466 HH12 ' NH1' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -74.65 -44.22 51.45 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.495 ' HB2' ' HB1' ' A' ' 5' ' ' ALA . 10.1 m120 -64.93 -24.44 67.52 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.71 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -30.95 71.56 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.556 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -68.26 -46.29 70.82 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.466 ' NH1' HH12 ' A' ' 7' ' ' ARG . 34.5 ttp180 -63.36 -24.12 67.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.65 1.219 . . . . 0.0 108.297 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -77.09 -47.45 20.48 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.591 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.556 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 2.2 p-90 -76.24 -17.15 59.63 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 118.267 -1.373 . . . . 0.0 109.893 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -74.25 -42.05 60.31 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.52 -34.89 67.91 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.46 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -63.84 -44.0 94.5 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.121 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -88.64 -5.28 58.25 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.987 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mtm-85 54.43 27.09 7.77 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 122.128 0.966 . . . . 0.0 111.667 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.182 -2.199 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 . . . . . 0 N--CA 1.498 1.927 0 CA-C-O 120.786 0.327 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -71.62 -35.84 70.58 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -73.19 -35.59 66.4 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.701 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -66.96 -34.68 78.3 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.65 -31.51 68.46 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -30.32 66.04 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.227 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HE ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -75.81 -35.79 59.93 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -69.76 -30.08 67.57 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -74.3 -35.31 63.69 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.59 -16.74 61.24 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 . . . . . 0 N--CA 1.496 1.835 0 CA-C-N 114.396 -1.275 . . . . 0.0 108.024 179.715 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.497 HH21 ' NH2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.971 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.497 ' NH2' HH21 ' A' ' 6' ' ' ARG . 76.7 mtt-85 -72.12 -40.53 68.05 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -69.81 -20.37 63.45 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 113.747 -1.57 . . . . 0.0 108.507 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -87.39 -19.99 27.32 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 114.231 -1.349 . . . . 0.0 109.833 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.0 -38.22 18.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 124.231 0.957 . . . . 0.0 109.813 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -32.52 60.19 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 124.023 0.827 . . . . 0.0 110.218 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -31.74 62.14 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -70.85 -40.57 72.26 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -62.07 -40.51 96.05 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.35 85.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.457 1.098 . . . . 0.0 108.782 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.9 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.475 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 120.524 0.202 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -72.84 -35.52 67.27 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -64.37 -34.22 77.66 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.756 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.467 HH21 ' HE1' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -58.03 -39.8 79.27 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 124.375 1.047 . . . . 0.0 109.117 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 13' ' ' TRP . . . -62.04 -37.48 85.11 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.647 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.505 ' HE ' ' HB2' ' A' ' 14' ' ' ARG . 2.4 tpm_? -65.8 -25.06 67.06 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.602 1.189 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.571 ' HE ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -71.71 -46.95 57.09 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 123.65 0.594 . . . . 0.0 109.953 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.467 ' HE1' HH21 ' A' ' 9' ' ' ARG . 0.1 OUTLIER -65.94 -38.55 88.92 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.505 ' HB2' ' HE ' ' A' ' 11' ' ' ARG . 22.8 mmm-85 -59.83 -37.55 79.54 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 124.819 1.324 . . . . 0.0 110.2 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.75 68.47 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.155 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.77 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.076 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -36.82 33.73 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 113.726 -1.579 . . . . 0.0 107.979 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -65.96 -38.11 87.73 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.391 1.057 . . . . 0.0 109.635 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -60.68 -43.69 97.41 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 124.383 1.052 . . . . 0.0 110.133 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.91 83.0 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.804 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.408 HH12 ' CZ ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -70.62 -21.68 62.62 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.502 179.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -44.37 70.07 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -67.14 -44.13 80.59 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.583 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.408 ' CZ ' HH12 ' A' ' 11' ' ' ARG . 46.9 mtp180 -68.44 -22.19 64.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.18 -32.67 63.18 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 . . . . . 0 N--CA 1.496 1.856 0 O-C-N 124.371 1.044 . . . . 0.0 111.214 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 120.628 0.252 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.77 -41.59 36.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -71.87 -30.5 65.49 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.029 -1.441 . . . . 0.0 108.5 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.449 HH12 ' N ' ' A' ' 13' ' ' TRP . 10.7 tpt85 -71.73 -33.07 68.39 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 13' ' ' TRP . . . -85.05 17.25 3.01 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.204 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.77 -17.6 1.44 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -30.45 16.31 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 14' ' ' ARG . 1.4 p-90 -60.08 -34.52 73.56 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 124.122 0.889 . . . . 0.0 111.778 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.487 ' N ' ' CD1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -83.45 -32.49 26.02 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 124.722 1.264 . . . . 0.0 108.179 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -27.01 65.16 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 124.298 0.999 . . . . 0.0 108.782 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.826 0 O-C-N 124.506 1.129 . . . . 0.0 109.576 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.504 HH22 ' HE1' ' A' ' 13' ' ' TRP . 1.9 tpm_? . . . . . 0 N--CA 1.496 1.855 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' NH1' ' HB3' ' A' ' 10' ' ' ALA . 23.2 tpt85 -74.94 -38.23 61.8 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.504 HD21 HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.17 -31.84 66.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 124.33 1.019 . . . . 0.0 108.572 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.504 HH21 HD21 ' A' ' 8' ' ' ASN . 0.0 OUTLIER -71.65 -31.42 66.82 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.579 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -76.14 -36.86 58.6 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.43 HH12 ' HE ' ' A' ' 14' ' ' ARG . 7.4 mmm180 -70.28 -21.77 62.92 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -72.87 -52.7 13.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 124.206 0.941 . . . . 0.0 108.664 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.579 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.9 p-90 -71.36 -22.31 61.92 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 118.393 -1.323 . . . . 0.0 110.24 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' HE ' HH12 ' A' ' 11' ' ' ARG . 1.2 ttp85 -75.2 -39.81 59.83 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.34 -25.9 62.59 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 . . . . . 0 N--CA 1.494 1.735 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.318 179.746 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 . . . . . 0 N--CA 1.499 1.99 0 CA-C-O 120.873 0.368 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -91.1 -29.21 17.43 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -68.09 -45.68 73.08 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 124.021 0.826 . . . . 0.0 109.803 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -30.4 68.8 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.57 60.34 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -73.84 -34.33 64.5 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -65.86 -43.95 86.86 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -62.25 -39.1 91.74 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 114.165 -1.379 . . . . 0.0 108.052 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -64.7 -35.35 80.77 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.69 1.244 . . . . 0.0 110.009 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.21 -18.71 63.93 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.866 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.627 ' HE ' HH22 ' A' ' 9' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 102.309 -3.219 . . . . 0.0 102.309 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.599 ' HE ' ' HB3' ' A' ' 10' ' ' ALA . 2.6 tpm_? -78.05 -34.99 50.16 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 104.252 -2.499 . . . . 0.0 104.252 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.592 HD21 ' CZ ' ' A' ' 12' ' ' ARG . 27.9 t30 -64.4 -24.82 67.77 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.177 -1.409 . . . . 0.0 108.644 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.627 HH22 ' HE ' ' A' ' 6' ' ' ARG . 19.1 ttm180 -60.28 -47.09 87.5 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.599 ' HB3' ' HE ' ' A' ' 7' ' ' ARG . . . -70.67 -29.98 66.46 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 114.434 -1.257 . . . . 0.0 109.019 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -68.27 -31.55 71.09 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.592 ' CZ ' HD21 ' A' ' 8' ' ' ASN . 12.0 tpp180 -76.46 -38.88 54.71 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -58.55 -38.29 77.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 124.233 0.958 . . . . 0.0 108.418 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -71.37 -41.06 70.17 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -17.99 65.04 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.301 1.001 . . . . 0.0 110.466 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 . . . . . 0 N--CA 1.496 1.83 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 120.554 0.216 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.606 ' HE ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -82.5 -39.47 22.39 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.428 HD21 ' CZ ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -76.37 -30.47 57.57 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.004 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.428 ' CZ ' HD21 ' A' ' 8' ' ' ASN . 2.2 tpp180 -69.88 -49.08 55.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 124.527 1.142 . . . . 0.0 108.218 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . . . -59.46 -41.05 88.81 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.593 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.606 ' HE ' ' HE ' ' A' ' 7' ' ' ARG . 39.6 ttp85 -67.5 -27.74 67.24 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 124.598 1.186 . . . . 0.0 108.722 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.419 HH21 HH12 ' A' ' 16' ' ' ARG . 0.0 OUTLIER -69.03 -49.85 53.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 124.026 0.829 . . . . 0.0 110.745 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.467 ' CE3' ' HA ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -66.72 -37.32 84.46 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.096 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -70.52 -29.46 65.95 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 124.735 1.272 . . . . 0.0 110.504 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -32.28 69.98 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.419 HH12 HH21 ' A' ' 12' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-N 113.958 -1.473 . . . . 0.0 107.993 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.427 ' HE ' ' HB3' ' A' ' 9' ' ' ARG . 5.6 tpm_? . . . . . 0 N--CA 1.494 1.735 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -71.94 -33.83 68.53 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.439 ' H ' HD22 ' A' ' 8' ' ' ASN . 2.7 m-80 -70.31 -30.53 67.54 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 114.484 -1.235 . . . . 0.0 108.003 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.733 HH12 ' HE ' ' A' ' 12' ' ' ARG . 3.1 tpt85 -70.41 -30.28 67.11 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -75.42 -33.46 60.95 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -70.6 -17.96 62.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 124.818 1.324 . . . . 0.0 108.466 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.733 ' HE ' HH12 ' A' ' 9' ' ' ARG . 50.9 mtp85 -84.93 -46.27 11.42 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.504 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 2.4 p-90 -74.59 -23.07 58.69 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.631 -1.628 . . . . 0.0 111.76 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.601 ' HE ' ' CA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -79.95 -27.06 39.81 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.601 ' CA ' ' HE ' ' A' ' 14' ' ' ARG . . . -72.57 -43.69 63.08 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 . . . . . 0 N--CA 1.496 1.83 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.585 179.79 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -76.07 -33.52 59.55 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -67.35 -33.86 76.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 124.616 1.198 . . . . 0.0 109.014 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -71.61 -43.16 66.71 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.52 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . . . -65.5 -29.96 70.67 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.724 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -79.22 -28.25 42.51 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.846 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.4 mtm-85 -69.57 -41.64 75.57 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.062 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.52 ' CE3' ' HA ' ' A' ' 10' ' ' ALA . 1.1 m0 -69.86 -41.7 74.51 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' NH2' ' HB1' ' A' ' 10' ' ' ALA . 14.1 mtt85 -53.03 -35.07 59.05 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.201 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.53 -53.11 31.31 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.561 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.969 0 O-C-N 123.733 0.646 . . . . 0.0 112.332 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 . . . . . 0 N--CA 1.5 2.067 0 CA-C-O 120.676 0.274 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -71.35 -33.42 69.57 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -74.68 -37.31 62.7 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 114.005 -1.452 . . . . 0.0 108.966 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.482 HH12 ' HE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -65.76 -40.56 92.18 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.973 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -72.05 -35.5 69.35 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.047 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -67.31 -31.19 71.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 124.624 1.203 . . . . 0.0 107.972 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.482 ' HE ' HH12 ' A' ' 9' ' ' ARG . 58.7 mtp85 -72.38 -52.0 18.0 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.5 p-90 -71.5 -21.89 61.87 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.845 -1.542 . . . . 0.0 110.505 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -42.01 58.63 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.4 77.92 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 124.365 1.04 . . . . 0.0 108.638 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.772 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -69.77 -32.74 71.4 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.438 HD22 ' NH2' ' A' ' 11' ' ' ARG . 14.9 t-20 -65.39 -35.72 81.8 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -31.34 72.2 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 114.565 -1.198 . . . . 0.0 108.747 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HB2' ' NH1' ' A' ' 6' ' ' ARG . . . -68.77 -38.55 80.12 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.438 ' NH2' HD22 ' A' ' 8' ' ' ASN . 0.4 OUTLIER -68.06 -37.39 81.24 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.002 -1.454 . . . . 0.0 108.672 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -41.86 92.33 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.641 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -67.81 -29.67 68.9 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.742 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -29.1 58.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.267 0.979 . . . . 0.0 108.641 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.1 -33.55 70.27 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.689 0 CA-C-N 113.517 -1.674 . . . . 0.0 108.335 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.628 HH21 HD21 ' A' ' 8' ' ' ASN . 25.3 mtm180 -69.0 -38.08 79.08 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.628 HD21 HH21 ' A' ' 7' ' ' ARG . 6.7 m-80 -68.9 -44.85 72.32 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 113.182 -1.826 . . . . 0.0 107.968 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.82 -27.98 69.69 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.951 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.56 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -69.93 -36.18 75.13 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.442 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -67.05 -25.18 66.13 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 124.694 1.246 . . . . 0.0 108.219 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -77.06 -49.96 14.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 124.231 0.957 . . . . 0.0 110.572 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.56 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.8 p-90 -72.53 -19.41 61.52 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -80.49 -45.52 17.39 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.43 91.09 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 . . . . . 0 N--CA 1.493 1.722 0 CA-C-N 113.851 -1.522 . . . . 0.0 108.832 179.795 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 120.836 0.35 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -35.33 63.98 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -71.66 -30.33 65.6 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.98 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -29.02 47.72 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.79 -34.99 67.28 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -73.02 -34.34 66.31 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 113.401 -1.727 . . . . 0.0 106.536 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -67.65 -38.94 84.52 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -68.05 -38.53 82.58 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.746 -1.115 . . . . 0.0 108.291 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -29.37 68.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 124.295 0.997 . . . . 0.0 108.417 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.64 -40.37 66.46 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 . . . . . 0 N--CA 1.495 1.823 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.016 179.85 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 . . . . . 0 N--CA 1.496 1.846 0 CA-C-O 121.109 0.481 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -77.54 -39.88 44.43 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -62.64 -54.07 45.01 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.444 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -63.55 -28.84 70.21 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 124.056 0.848 . . . . 0.0 110.984 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -32.65 70.96 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.144 0.902 . . . . 0.0 109.349 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.476 ' NH2' HH22 ' A' ' 12' ' ' ARG . 9.4 mtp180 -70.98 -21.1 62.35 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.902 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.476 HH22 ' NH2' ' A' ' 11' ' ' ARG . 8.7 mmt180 -90.27 -30.8 17.29 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -65.68 -42.17 91.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 124.405 1.065 . . . . 0.0 110.668 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -11.11 60.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 124.17 0.919 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.48 -14.93 15.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.388 1.055 . . . . 0.0 108.308 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.82 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.473 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.5 mtm105 . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.42 -34.36 70.24 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.467 HD21 ' HE ' ' A' ' 12' ' ' ARG . 2.7 t-20 -67.31 -48.62 67.05 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.223 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -63.98 -25.89 68.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 124.677 1.235 . . . . 0.0 111.055 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.565 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -76.74 -42.87 39.43 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -68.66 -24.51 64.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 124.548 1.155 . . . . 0.0 107.894 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.467 ' HE ' HD21 ' A' ' 8' ' ' ASN . 22.6 mtt-85 -73.28 -53.07 11.77 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.859 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.565 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.26 -23.03 63.8 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.334 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -73.7 -37.52 65.16 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.76 70.29 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 . . . . . 0 N--CA 1.5 2.057 0 CA-C-O 120.803 0.335 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.6 ptm85 -75.04 -37.41 61.73 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -68.58 -31.34 70.47 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 114.024 -1.444 . . . . 0.0 108.533 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -25.75 67.6 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.12 78.8 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.955 0.784 . . . . 0.0 108.949 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -74.15 -36.98 64.16 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -69.92 -23.37 63.21 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 113.499 -1.682 . . . . 0.0 109.397 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -73.74 -31.91 63.6 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.16 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -87.64 -30.7 20.23 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.41 82.03 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? . . . . . 0 N--CA 1.495 1.777 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.041 179.795 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.462 ' N ' HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -79.84 -42.12 24.96 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -15.03 61.45 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.706 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.462 HH21 ' N ' ' A' ' 6' ' ' ARG . 3.4 mtm180 -78.08 -30.86 49.88 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.15 70.98 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -74.48 -31.09 62.09 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 114.058 -1.428 . . . . 0.0 108.344 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -66.35 -43.06 87.12 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -65.26 -36.7 84.94 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 114.407 -1.269 . . . . 0.0 108.038 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -62.53 -35.87 80.81 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.29 73.89 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.661 -1.154 . . . . 0.0 108.587 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 . . . . . 0 N--CA 1.495 1.809 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.851 179.85 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.019 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.466 HH12 ' NH1' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -74.65 -44.22 51.45 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -64.93 -24.44 67.52 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.71 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -30.95 71.56 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.556 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -68.26 -46.29 70.82 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.466 ' NH1' HH12 ' A' ' 7' ' ' ARG . 34.5 ttp180 -63.36 -24.12 67.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.65 1.219 . . . . 0.0 108.297 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -77.09 -47.45 20.48 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.591 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.556 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 2.2 p-90 -76.24 -17.15 59.63 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 118.267 -1.373 . . . . 0.0 109.893 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -74.25 -42.05 60.31 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.52 -34.89 67.91 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.46 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 . . . . . 0 N--CA 1.498 1.93 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.121 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 94.8 m . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 120.868 0.366 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -68.04 -9.13 43.54 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.132 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -130.74 20.84 5.05 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.26 77.7 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.773 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 ttp85 -62.59 -25.93 68.34 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.309 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -71.62 -35.84 70.58 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -73.19 -35.59 66.4 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.701 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -66.96 -34.68 78.3 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.65 -31.51 68.46 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -30.32 66.04 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 114.039 -1.437 . . . . 0.0 108.227 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HE ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -75.81 -35.79 59.93 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.3 t90 -69.76 -30.08 67.57 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 ttp85 -74.3 -35.31 63.69 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.59 -16.74 61.24 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -99.11 -14.68 19.28 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 114.396 -1.275 . . . . 0.0 108.024 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.58 68.21 1.5 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.412 ' HB2' HH11 ' A' ' 18' ' ' ARG . 0.0 OUTLIER -73.91 146.68 43.82 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.904 -1.043 . . . . 0.0 110.113 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 119.263 -2.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.504 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.5 2.043 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.41 ' HG2' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -64.36 -51.17 64.66 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.624 ' H ' HE21 ' A' ' 4' ' ' GLN . 0.8 OUTLIER -71.38 -34.8 70.74 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.231 -1.35 . . . . 0.0 107.723 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' ' 2' ' ' THR . . . -90.99 57.52 3.51 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.549 -1.648 . . . . 0.0 106.549 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.497 HH21 ' NH2' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -57.18 -28.83 63.15 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 114.131 -1.395 . . . . 0.0 111.747 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.497 ' NH2' HH21 ' A' ' 6' ' ' ARG . 76.7 mtt-85 -72.12 -40.53 68.05 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 105.304 -2.11 . . . . 0.0 105.304 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' HB2' ' HB1' ' A' ' 5' ' ' ALA . 4.4 t-20 -69.81 -20.37 63.45 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 113.747 -1.57 . . . . 0.0 108.507 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -87.39 -19.99 27.32 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 114.231 -1.349 . . . . 0.0 109.833 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.0 -38.22 18.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 124.231 0.957 . . . . 0.0 109.813 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -32.52 60.19 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 124.023 0.827 . . . . 0.0 110.218 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -31.74 62.14 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -70.85 -40.57 72.26 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -62.07 -40.51 96.05 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.35 85.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.457 1.098 . . . . 0.0 108.782 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -31.06 70.48 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.475 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.33 -11.43 46.35 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.297 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.99 -175.37 0.06 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 124.274 0.984 . . . . 0.0 112.098 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.005 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -53.3 -36.17 60.93 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 124.472 1.108 . . . . 0.0 111.214 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -98.81 -33.09 11.03 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.359 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 8' ' ' ASN . . . -95.99 53.1 1.35 Allowed 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.934 0.873 . . . . 0.0 109.368 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -69.53 -38.47 77.54 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.36 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -72.84 -35.52 67.27 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.452 ' HB2' ' HB1' ' A' ' 5' ' ' ALA . 8.9 m120 -64.37 -34.22 77.66 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 114.399 -1.273 . . . . 0.0 108.756 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.467 HH21 ' HE1' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -58.03 -39.8 79.27 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 124.375 1.047 . . . . 0.0 109.117 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 13' ' ' TRP . . . -62.04 -37.48 85.11 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.647 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.505 ' HE ' ' HB2' ' A' ' 14' ' ' ARG . 2.4 tpm_? -65.8 -25.06 67.06 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 124.602 1.189 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.571 ' HE ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -71.71 -46.95 57.09 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 123.65 0.594 . . . . 0.0 109.953 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.467 ' HE1' HH21 ' A' ' 9' ' ' ARG . 0.1 OUTLIER -65.94 -38.55 88.92 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.505 ' HB2' ' HE ' ' A' ' 11' ' ' ARG . 22.8 mmm-85 -59.83 -37.55 79.54 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 124.819 1.324 . . . . 0.0 110.2 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.24 -42.75 68.47 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.155 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -18.08 60.88 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 114.257 -1.338 . . . . 0.0 112.076 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -67.32 -32.08 72.8 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.602 0.564 . . . . 0.0 109.686 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -78.94 141.81 37.24 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 124.136 0.898 . . . . 0.0 108.848 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.399 0 O-C-N 119.408 -2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . 0.452 ' O1 ' ' HB2' ' A' ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.503 2.216 0 CA-C-O 120.572 0.225 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.85 -25.94 31.99 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 124.599 1.187 . . . . 0.0 109.361 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.414 ' C ' ' HB2' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -157.54 63.52 0.48 Allowed 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.425 179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.452 ' HB2' ' O1 ' ' A' ' 1' ' ' SIN . . . -132.4 -80.78 0.5 Allowed 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 104.897 -2.26 . . . . 0.0 104.897 179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.75 -27.01 62.69 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.32 -36.82 33.73 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 113.726 -1.579 . . . . 0.0 107.979 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.414 ' HB2' ' C ' ' A' ' 4' ' ' GLN . 1.5 t30 -65.96 -38.11 87.73 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.391 1.057 . . . . 0.0 109.635 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -60.68 -43.69 97.41 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 124.383 1.052 . . . . 0.0 110.133 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.91 83.0 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.804 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.408 HH12 ' CZ ' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -70.62 -21.68 62.62 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.566 -1.197 . . . . 0.0 109.502 179.824 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -44.37 70.07 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -67.14 -44.13 80.59 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.583 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' CZ ' HH12 ' A' ' 11' ' ' ARG . 46.9 mtp180 -68.44 -22.19 64.61 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.18 -32.67 63.18 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -93.58 -19.23 21.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 124.371 1.044 . . . . 0.0 111.214 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.559 HE22 ' HE ' ' A' ' 18' ' ' ARG . 1.1 tm0? -99.46 -66.64 0.89 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.559 ' HE ' HE22 ' A' ' 17' ' ' GLN . 7.7 tpp85 -75.5 157.41 34.02 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.006 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 119.409 -2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 62.0 m . . . . . 0 N--CA 1.498 1.964 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -59.06 -26.19 64.4 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 124.188 0.93 . . . . 0.0 111.908 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -33.71 9.34 Favored 'General case' 0 N--CA 1.496 1.829 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.267 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.11 -27.85 69.03 Favored 'General case' 0 N--CA 1.496 1.867 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -69.95 -19.26 63.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 124.193 0.933 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.77 -41.59 36.97 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -71.87 -30.5 65.49 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-N 114.029 -1.441 . . . . 0.0 108.5 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.449 HH12 ' N ' ' A' ' 13' ' ' TRP . 10.7 tpt85 -71.73 -33.07 68.39 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 104.531 -2.396 . . . . 0.0 104.531 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' C ' ' CD1' ' A' ' 13' ' ' TRP . . . -85.05 17.25 3.01 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.204 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.77 -17.6 1.44 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -30.45 16.31 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 105.517 -2.031 . . . . 0.0 105.517 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.487 ' CD1' ' N ' ' A' ' 14' ' ' ARG . 1.4 p-90 -60.08 -34.52 73.56 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 124.122 0.889 . . . . 0.0 111.778 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.487 ' N ' ' CD1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -83.45 -32.49 26.02 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 124.722 1.264 . . . . 0.0 108.179 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -27.01 65.16 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 124.298 0.999 . . . . 0.0 108.782 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.459 HH22 ' NH2' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -104.06 -11.78 17.16 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 124.506 1.129 . . . . 0.0 109.576 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 42.72 26.83 0.08 Allowed 'General case' 0 N--CA 1.503 2.219 0 O-C-N 124.895 1.372 . . . . 0.0 112.8 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' NH2' HH22 ' A' ' 16' ' ' ARG . 0.1 OUTLIER -170.03 114.98 0.51 Allowed 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.515 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.175 -2.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . 0.416 ' C4 ' ' N ' ' A' ' 2' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.416 ' N ' ' C4 ' ' A' ' 1' ' ' SIN . 39.3 m . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 120.986 0.422 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.1 -25.12 65.18 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-N 114.59 -1.187 . . . . 0.0 111.193 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -113.52 -6.08 13.44 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 124.302 1.001 . . . . 0.0 110.746 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.87 -22.57 66.98 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 123.535 0.522 . . . . 0.0 111.705 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.504 HH22 ' HE1' ' A' ' 13' ' ' TRP . 1.9 tpm_? -66.3 -27.54 68.0 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.62 0.575 . . . . 0.0 110.11 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' NH1' ' HB3' ' A' ' 10' ' ' ALA . 23.2 tpt85 -74.94 -38.23 61.8 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.504 HD21 HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -72.17 -31.84 66.3 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 124.33 1.019 . . . . 0.0 108.572 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.504 HH21 HD21 ' A' ' 8' ' ' ASN . 0.0 OUTLIER -71.65 -31.42 66.82 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.579 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -76.14 -36.86 58.6 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.43 HH12 ' HE ' ' A' ' 14' ' ' ARG . 7.4 mmm180 -70.28 -21.77 62.92 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -72.87 -52.7 13.72 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 124.206 0.941 . . . . 0.0 108.664 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.579 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.9 p-90 -71.36 -22.31 61.92 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 118.393 -1.323 . . . . 0.0 110.24 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' HE ' HH12 ' A' ' 11' ' ' ARG . 1.2 ttp85 -75.2 -39.81 59.83 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.34 -25.9 62.59 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -79.85 -30.86 40.42 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.318 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -122.85 68.97 0.98 Allowed 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mtp-105 -60.32 131.21 50.06 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.273 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.51 -1.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 120.866 0.365 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -73.11 10.42 0.95 Allowed 'General case' 0 N--CA 1.499 2.002 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.861 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -128.57 -55.11 1.24 Allowed 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.34 -62.81 1.24 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.111 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.6 mtt85 -70.01 -7.57 42.02 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 123.811 0.695 . . . . 0.0 110.684 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -91.1 -29.21 17.43 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -68.09 -45.68 73.08 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 124.021 0.826 . . . . 0.0 109.803 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -30.4 68.8 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.65 -25.57 60.34 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -73.84 -34.33 64.5 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -65.86 -43.95 86.86 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -62.25 -39.1 91.74 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 114.165 -1.379 . . . . 0.0 108.052 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -64.7 -35.35 80.77 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 124.69 1.244 . . . . 0.0 110.009 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.21 -18.71 63.93 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -88.02 -53.01 4.95 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -79.22 10.16 3.89 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.353 -1.294 . . . . 0.0 112.542 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -53.34 -25.22 14.31 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-O 121.735 0.779 . . . . 0.0 112.989 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.086 -2.259 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . 0.455 ' O1 ' ' HB2' ' A' ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.499 2.022 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -101.93 0.82 35.99 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.38 8.37 0.22 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 123.382 0.426 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.568 ' N ' ' HB3' ' A' ' 8' ' ' ASN . . . -69.78 169.29 13.27 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.627 ' HE ' HH22 ' A' ' 9' ' ' ARG . 0.9 OUTLIER -67.62 -31.82 72.1 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 102.309 -3.219 . . . . 0.0 102.309 179.14 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.599 ' HE ' ' HB3' ' A' ' 10' ' ' ALA . 2.6 tpm_? -78.05 -34.99 50.16 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 104.252 -2.499 . . . . 0.0 104.252 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.592 HD21 ' CZ ' ' A' ' 12' ' ' ARG . 27.9 t30 -64.4 -24.82 67.77 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.177 -1.409 . . . . 0.0 108.644 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.627 HH22 ' HE ' ' A' ' 6' ' ' ARG . 19.1 ttm180 -60.28 -47.09 87.5 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.599 ' HB3' ' HE ' ' A' ' 7' ' ' ARG . . . -70.67 -29.98 66.46 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 114.434 -1.257 . . . . 0.0 109.019 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -68.27 -31.55 71.09 Favored 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.592 ' CZ ' HD21 ' A' ' 8' ' ' ASN . 12.0 tpp180 -76.46 -38.88 54.71 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -58.55 -38.29 77.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 124.233 0.958 . . . . 0.0 108.418 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -71.37 -41.06 70.17 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -17.99 65.04 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 124.301 1.001 . . . . 0.0 110.466 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -96.6 -28.51 14.32 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -65.22 -35.39 80.92 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.411 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.34 8.17 7.14 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.691 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.01 -2.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . 0.422 ' O1 ' ' HB2' ' A' ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.485 ' HB ' HH21 ' A' ' 3' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.534 ' NE ' ' H ' ' A' ' 3' ' ' ARG . 0.3 OUTLIER -54.66 -37.08 65.29 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 123.733 0.646 . . . . 0.0 112.016 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -123.75 29.83 6.4 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 124.191 0.932 . . . . 0.0 111.315 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.595 ' HB1' HH21 ' A' ' 9' ' ' ARG . . . -66.19 -58.38 5.54 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.682 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.511 ' CD ' ' H ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -67.45 -14.39 62.89 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.519 179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.606 ' HE ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -82.5 -39.47 22.39 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.428 HD21 ' CZ ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -76.37 -30.47 57.57 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 118.825 -1.15 . . . . 0.0 109.004 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.595 HH21 ' HB1' ' A' ' 5' ' ' ALA . 2.2 tpp180 -69.88 -49.08 55.8 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 124.527 1.142 . . . . 0.0 108.218 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . . . -59.46 -41.05 88.81 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.593 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.606 ' HE ' ' HE ' ' A' ' 7' ' ' ARG . 39.6 ttp85 -67.5 -27.74 67.24 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 124.598 1.186 . . . . 0.0 108.722 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.419 HH21 HH12 ' A' ' 16' ' ' ARG . 0.0 OUTLIER -69.03 -49.85 53.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 124.026 0.829 . . . . 0.0 110.745 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.467 ' CE3' ' HA ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -66.72 -37.32 84.46 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 119.435 -0.906 . . . . 0.0 109.096 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -70.52 -29.46 65.95 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 124.735 1.272 . . . . 0.0 110.504 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.3 -32.28 69.98 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.419 HH12 HH21 ' A' ' 12' ' ' ARG . 0.0 OUTLIER -97.97 2.24 48.77 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.958 -1.473 . . . . 0.0 107.993 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 42.95 24.43 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 10.74 85.29 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.336 -2.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.2 m . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -41.6 98.12 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 123.829 0.706 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -75.92 -33.13 59.87 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.04 -13.81 60.91 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.179 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.427 ' HE ' ' HB3' ' A' ' 9' ' ' ARG . 5.6 tpm_? -67.87 -31.3 71.01 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.542 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -71.94 -33.83 68.53 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' H ' HD22 ' A' ' 8' ' ' ASN . 2.7 m-80 -70.31 -30.53 67.54 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 114.484 -1.235 . . . . 0.0 108.003 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.733 HH12 ' HE ' ' A' ' 12' ' ' ARG . 3.1 tpt85 -70.41 -30.28 67.11 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -75.42 -33.46 60.95 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -70.6 -17.96 62.89 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 124.818 1.324 . . . . 0.0 108.466 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.733 ' HE ' HH12 ' A' ' 9' ' ' ARG . 50.9 mtp85 -84.93 -46.27 11.42 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.504 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 2.4 p-90 -74.59 -23.07 58.69 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 117.631 -1.628 . . . . 0.0 111.76 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.601 ' HE ' ' CA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -79.95 -27.06 39.81 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.601 ' CA ' ' HE ' ' A' ' 14' ' ' ARG . . . -72.57 -43.69 63.08 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -69.37 -25.13 64.02 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.585 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -62.99 -19.75 64.62 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 124.031 0.832 . . . . 0.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -66.28 155.32 37.51 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.979 0.895 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.408 -2.057 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . 0.401 ' C4 ' ' N ' ' A' ' 2' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.401 ' N ' ' C4 ' ' A' ' 1' ' ' SIN . 1.9 m . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.513 HH11 ' H ' ' A' ' 3' ' ' ARG . 1.0 OUTLIER -65.86 -50.75 63.42 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.44 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -65.2 -17.27 64.35 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.895 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.37 -19.54 15.2 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 124.026 0.829 . . . . 0.0 111.811 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -62.47 -37.4 85.77 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 123.805 0.691 . . . . 0.0 110.118 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.9 tpp85 -76.07 -33.52 59.55 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -67.35 -33.86 76.12 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 124.616 1.198 . . . . 0.0 109.014 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 -71.61 -43.16 66.71 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . . . -65.5 -29.96 70.67 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.724 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -79.22 -28.25 42.51 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 114.832 -1.076 . . . . 0.0 108.846 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.4 mtm-85 -69.57 -41.64 75.57 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.062 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.52 ' CE3' ' HA ' ' A' ' 10' ' ' ALA . 1.1 m0 -69.86 -41.7 74.51 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' NH2' ' HB1' ' A' ' 10' ' ' ALA . 14.1 mtt85 -53.03 -35.07 59.05 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.201 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.53 -53.11 31.31 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.561 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.21 2.52 31.35 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.733 0.646 . . . . 0.0 112.332 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -23.09 63.82 Favored 'General case' 0 N--CA 1.5 2.027 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.352 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.37 -24.33 0.17 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 124.183 0.927 . . . . 0.0 109.642 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.329 -2.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -38.69 87.07 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 124.448 1.092 . . . . 0.0 109.205 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -64.77 -24.51 67.58 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.482 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.48 -18.4 19.05 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.679 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.6 mtt-85 -75.04 -36.37 61.85 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 124.049 0.843 . . . . 0.0 110.448 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -71.35 -33.42 69.57 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -74.68 -37.31 62.7 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 114.005 -1.452 . . . . 0.0 108.966 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.482 HH12 ' HE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -65.76 -40.56 92.18 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.803 -1.089 . . . . 0.0 108.973 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -72.05 -35.5 69.35 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 114.076 -1.42 . . . . 0.0 110.047 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.0 ttp85 -67.31 -31.19 71.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 124.624 1.203 . . . . 0.0 107.972 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.482 ' HE ' HH12 ' A' ' 9' ' ' ARG . 58.7 mtp85 -72.38 -52.0 18.0 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.5 p-90 -71.5 -21.89 61.87 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.845 -1.542 . . . . 0.0 110.505 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -42.01 58.63 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.4 77.92 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 124.365 1.04 . . . . 0.0 108.638 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -41.64 81.17 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -82.65 -2.38 53.81 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.416 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 63.62 -173.12 0.16 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 121.816 0.817 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 118.796 -2.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 120.78 0.324 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -66.07 -48.69 70.17 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.872 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -85.71 8.57 19.22 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 123.762 0.664 . . . . 0.0 111.383 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.14 31.22 0.5 Allowed 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 121.489 0.661 . . . . 0.0 111.26 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -70.86 -36.6 72.89 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.015 179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -69.77 -32.74 71.4 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.438 HD22 ' NH2' ' A' ' 11' ' ' ARG . 14.9 t-20 -65.39 -35.72 81.8 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.62 -1.622 . . . . 0.0 106.62 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -31.34 72.2 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 114.565 -1.198 . . . . 0.0 108.747 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HB2' ' NH1' ' A' ' 6' ' ' ARG . . . -68.77 -38.55 80.12 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' NH2' HD22 ' A' ' 8' ' ' ASN . 0.4 OUTLIER -68.06 -37.39 81.24 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-N 114.002 -1.454 . . . . 0.0 108.672 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -41.86 92.33 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.641 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -67.81 -29.67 68.9 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.742 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.8 -29.1 58.61 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 124.267 0.979 . . . . 0.0 108.641 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.1 -33.55 70.27 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -27.13 31.12 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.517 -1.674 . . . . 0.0 108.335 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -128.46 80.01 1.94 Allowed 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -72.6 143.49 48.2 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.752 -1.113 . . . . 0.0 109.952 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.365 -2.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . 0.4 ' C4 ' ' N ' ' A' ' 2' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.454 HG22 HH12 ' A' ' 9' ' ' ARG . 90.6 m . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 120.926 0.393 . . . . 0.0 111.445 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.5 tpp85 -65.27 -34.71 78.99 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.588 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -99.69 3.83 45.25 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.63 56.92 4.12 Favored 'General case' 0 N--CA 1.5 2.043 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -73.79 -31.76 63.44 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 114.488 -1.233 . . . . 0.0 111.352 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.628 HH21 HD21 ' A' ' 8' ' ' ASN . 25.3 mtm180 -69.0 -38.08 79.08 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.628 HD21 HH21 ' A' ' 7' ' ' ARG . 6.7 m-80 -68.9 -44.85 72.32 Favored 'General case' 0 N--CA 1.484 1.275 0 CA-C-N 113.182 -1.826 . . . . 0.0 107.968 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.454 HH12 HG22 ' A' ' 2' ' ' THR . 0.4 OUTLIER -62.82 -27.98 69.69 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.951 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.56 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -69.93 -36.18 75.13 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.442 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -67.05 -25.18 66.13 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 124.694 1.246 . . . . 0.0 108.219 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -77.06 -49.96 14.15 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 124.231 0.957 . . . . 0.0 110.572 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.56 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 1.8 p-90 -72.53 -19.41 61.52 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 118.072 -1.451 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -80.49 -45.52 17.39 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.43 91.09 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 108.131 -1.062 . . . . 0.0 108.131 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 18' ' ' ARG . 16.0 ttp180 -83.54 -12.64 55.93 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 113.851 -1.522 . . . . 0.0 108.832 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 38.57 48.96 1.35 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 124.497 1.123 . . . . 0.0 112.47 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 16' ' ' ARG . 8.4 tpt180 56.86 44.94 22.38 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 113.532 -1.667 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.416 0 O-C-N 119.032 -2.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.24 70.56 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.34 5.94 39.63 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.381 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.43 17.02 0.41 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.893 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 50.6 ttt85 -56.42 -30.03 62.31 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 123.289 0.368 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -35.33 63.98 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -71.66 -30.33 65.6 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-N 114.485 -1.234 . . . . 0.0 108.98 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -29.02 47.72 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.79 -34.99 67.28 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 105.698 -1.964 . . . . 0.0 105.698 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -73.02 -34.34 66.31 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 113.401 -1.727 . . . . 0.0 106.536 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -67.65 -38.94 84.52 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -68.05 -38.53 82.58 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-N 114.746 -1.115 . . . . 0.0 108.291 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.3 -29.37 68.94 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 124.295 0.997 . . . . 0.0 108.417 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.64 -40.37 66.46 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -67.93 -32.13 72.36 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 114.419 -1.264 . . . . 0.0 109.016 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.486 HE22 ' HE ' ' A' ' 18' ' ' ARG . 4.9 tm0? -74.48 -37.35 63.21 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-N 114.487 -1.233 . . . . 0.0 108.419 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.486 ' HE ' HE22 ' A' ' 17' ' ' GLN . 5.6 mtm180 -166.43 122.29 1.23 Allowed 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.71 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.404 0 O-C-N 119.385 -2.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.4 m . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HE ' HE22 ' A' ' 4' ' ' GLN . 55.3 ttp180 -66.81 -30.95 71.28 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.503 HE22 ' HE ' ' A' ' 3' ' ' ARG . 4.7 mp0 -106.92 26.79 9.66 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.843 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.39 -31.59 61.94 Favored 'General case' 0 N--CA 1.499 1.986 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.943 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -71.41 -26.38 62.74 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 123.757 0.661 . . . . 0.0 109.944 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.0 ttm-85 -77.54 -39.88 44.43 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.3 m-80 -62.64 -54.07 45.01 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 114.106 -1.406 . . . . 0.0 111.444 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 ppt_? -63.55 -28.84 70.21 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 124.056 0.848 . . . . 0.0 110.984 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -32.65 70.96 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 124.144 0.902 . . . . 0.0 109.349 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.476 ' NH2' HH22 ' A' ' 12' ' ' ARG . 9.4 mtp180 -70.98 -21.1 62.35 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.902 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.476 HH22 ' NH2' ' A' ' 11' ' ' ARG . 8.7 mmt180 -90.27 -30.8 17.29 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -65.68 -42.17 91.59 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 124.405 1.065 . . . . 0.0 110.668 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -11.11 60.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 124.17 0.919 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.48 -14.93 15.52 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 124.388 1.055 . . . . 0.0 108.308 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.37 -18.58 16.69 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 115.024 -0.989 . . . . 0.0 112.473 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' NE2' ' H ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -51.56 -25.31 6.55 Favored 'General case' 0 N--CA 1.506 2.367 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.477 ' H ' ' NE2' ' A' ' 17' ' ' GLN . 9.8 mmt180 -142.19 153.55 44.11 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 119.466 -2.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.501 2.079 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.449 ' HA ' HH21 ' A' ' 6' ' ' ARG . 77.2 mtp85 -39.45 -34.33 0.21 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 124.774 1.296 . . . . 0.0 113.292 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -128.77 -30.29 2.29 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 124.363 1.039 . . . . 0.0 110.714 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.11 -21.01 65.9 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.46 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.449 HH21 ' HA ' ' A' ' 3' ' ' ARG . 35.5 mtm105 -72.05 -38.16 69.53 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 123.75 0.656 . . . . 0.0 109.694 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.42 -34.36 70.24 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.467 HD21 ' HE ' ' A' ' 12' ' ' ARG . 2.7 t-20 -67.31 -48.62 67.05 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 114.46 -1.245 . . . . 0.0 108.223 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -63.98 -25.89 68.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 124.677 1.235 . . . . 0.0 111.055 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.565 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -76.74 -42.87 39.43 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.2 mtp85 -68.66 -24.51 64.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 124.548 1.155 . . . . 0.0 107.894 179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' HE ' HD21 ' A' ' 8' ' ' ASN . 22.6 mtt-85 -73.28 -53.07 11.77 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.859 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.565 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -69.26 -23.03 63.8 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 118.543 -1.263 . . . . 0.0 110.334 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -73.7 -37.52 65.16 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.56 -32.76 70.29 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -84.02 -14.35 50.87 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 114.536 -1.211 . . . . 0.0 110.979 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.7 -56.39 18.14 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 123.719 0.637 . . . . 0.0 109.88 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 55.23 88.08 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 124.809 1.318 . . . . 0.0 111.119 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.094 -2.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.455 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 1.8 m . . . . . 0 N--CA 1.498 1.97 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.512 HH21 HH22 ' A' ' 6' ' ' ARG . 16.4 mmm180 -58.83 -54.23 49.44 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 123.986 0.803 . . . . 0.0 109.495 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.638 ' H ' HE21 ' A' ' 4' ' ' GLN . 0.9 OUTLIER -66.16 -25.17 66.83 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.486 ' HB1' ' CB ' ' A' ' 8' ' ' ASN . . . -86.26 62.34 7.37 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.446 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.512 HH22 HH21 ' A' ' 3' ' ' ARG . 32.7 mmt180 -68.96 -29.07 67.22 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.1 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.6 ptm85 -75.04 -37.41 61.73 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' CB ' ' HB1' ' A' ' 5' ' ' ALA . 15.4 t-20 -68.58 -31.34 70.47 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 114.024 -1.444 . . . . 0.0 108.533 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -25.75 67.6 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.12 78.8 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.955 0.784 . . . . 0.0 108.949 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -74.15 -36.98 64.16 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -69.92 -23.37 63.21 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 113.499 -1.682 . . . . 0.0 109.397 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -73.74 -31.91 63.6 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.16 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -87.64 -30.7 20.23 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.03 -36.41 82.03 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -101.1 -12.25 18.96 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.041 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 46.38 56.35 6.44 Favored 'General case' 0 N--CA 1.501 2.097 0 CA-C-O 122.345 1.069 . . . . 0.0 110.809 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -80.91 -136.92 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.913 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 118.536 -2.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.8 m . . . . . 0 N--CA 1.497 1.912 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -11.31 59.87 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 123.935 0.772 . . . . 0.0 111.481 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -129.07 17.72 6.1 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 124.206 0.941 . . . . 0.0 109.817 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.03 39.98 0.84 Allowed 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.771 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.462 ' N ' HH21 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -51.33 -30.48 18.64 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 115.156 -0.929 . . . . 0.0 113.299 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -79.84 -42.12 24.96 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -15.03 61.45 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.706 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.462 HH21 ' N ' ' A' ' 6' ' ' ARG . 3.4 mtm180 -78.08 -30.86 49.88 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.15 70.98 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -74.48 -31.09 62.09 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 114.058 -1.428 . . . . 0.0 108.344 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -66.35 -43.06 87.12 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -65.26 -36.7 84.94 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 114.407 -1.269 . . . . 0.0 108.038 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -62.53 -35.87 80.81 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.29 73.89 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.661 -1.154 . . . . 0.0 108.587 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -68.51 -34.28 75.6 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.851 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -71.6 -36.18 70.74 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 123.832 0.708 . . . . 0.0 109.656 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.92 137.48 13.11 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.146 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 119.101 -2.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 m . . . . . 0 N--CA 1.499 2.009 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -64.93 -20.79 66.64 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 124.325 1.016 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -125.88 31.3 5.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.086 0.866 . . . . 0.0 110.441 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.495 ' HB1' ' HB2' ' A' ' 8' ' ' ASN . . . -87.53 51.42 2.22 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -31.32 68.59 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.365 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.466 HH12 ' NH1' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -74.65 -44.22 51.45 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.495 ' HB2' ' HB1' ' A' ' 5' ' ' ALA . 10.1 m120 -64.93 -24.44 67.52 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 114.04 -1.436 . . . . 0.0 109.71 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -30.95 71.56 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.556 ' HA ' ' NE1' ' A' ' 13' ' ' TRP . . . -68.26 -46.29 70.82 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.466 ' NH1' HH12 ' A' ' 7' ' ' ARG . 34.5 ttp180 -63.36 -24.12 67.71 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.65 1.219 . . . . 0.0 108.297 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -77.09 -47.45 20.48 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.591 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.556 ' NE1' ' HA ' ' A' ' 10' ' ' ALA . 2.2 p-90 -76.24 -17.15 59.63 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 118.267 -1.373 . . . . 0.0 109.893 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -74.25 -42.05 60.31 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.52 -34.89 67.91 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.46 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -63.84 -44.0 94.5 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.121 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -88.64 -5.28 58.25 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.987 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 mtm-85 54.43 27.09 7.77 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 122.128 0.966 . . . . 0.0 111.667 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.182 -2.199 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_