data_1y58_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 1y58 _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 ' 1' ' ' CYS . . . . . 0.613 ' H3 ' ' HA ' ' A' ' 6' ' ' TRP . 22.7 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.706 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 22.5 tpp180 -165.49 -61.11 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.859 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.541 ' HG2' ' HG3' ' A' ' 2' ' ' ARG . 38.2 ptt180 -175.29 30.02 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.656 0.265 . . . . 0.0 111.546 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.1 -55.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.655 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.706 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.0 mp0 -86.41 47.2 1.44 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.651 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.613 ' HA ' ' H3 ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -80.85 -45.75 16.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.583 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.54 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.5 mmp_? -108.41 -44.6 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.386 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.508 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.5 ptm -91.12 64.93 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.325 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.706 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 42.6 mtpt -70.9 58.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.182 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -84.02 -48.56 9.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.469 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -86.98 -14.16 42.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.521 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.597 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 75.89 31.6 55.39 Favored Glycine 0 N--CA 1.453 -0.175 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.188 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.706 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 10.1 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.234 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 t . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.811 0.338 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.611 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.8 ttm-85 -165.21 -62.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.57 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.03 32.75 0.01 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.89 0.376 . . . . 0.0 111.794 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.62 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.793 179.472 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.681 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 14.0 mp0 -87.32 46.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.522 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.01 -44.6 17.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.547 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.522 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -110.56 -45.12 3.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.493 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.7 ptm -89.1 64.39 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.849 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 52.4 mttp -70.53 57.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.147 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -83.35 -46.95 11.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 0.0 110.523 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.9 tp -90.4 -15.44 30.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.627 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.681 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.72 29.82 60.73 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.174 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.611 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.8 p . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.219 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.402 ' H3 ' ' HA ' ' A' ' 6' ' ' TRP . 32.2 t . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.724 0.297 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.666 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.7 ttt180 -164.08 -59.0 0.04 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.593 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.545 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.0 ptt180 -175.37 29.04 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.08 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.693 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.6 mp0 -86.57 51.48 2.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.638 0.256 . . . . 0.0 111.411 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.463 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.42 -43.77 14.34 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.795 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.463 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.79 -43.55 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.426 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 19.6 ptm -89.92 57.97 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.165 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.693 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 56.2 mtpt -67.71 62.09 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.322 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -86.75 -45.16 11.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.944 0.402 . . . . 0.0 110.155 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -90.36 -11.98 39.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.637 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.526 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 72.64 35.1 59.32 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.006 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.7 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.108 -0.949 . . . . 0.0 111.327 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.506 ' H1 ' ' HA ' ' A' ' 6' ' ' TRP . 27.1 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.661 0.267 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.825 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 79.4 ttt180 -165.86 -65.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.242 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.825 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.02 34.24 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.84 -49.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.506 179.43 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.683 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.0 mp0 -93.62 45.63 1.16 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.561 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -79.97 -45.63 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.46 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.561 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -106.8 -46.11 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.683 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 91.7 mtp -84.26 60.67 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.74 178.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 50.0 mtmt -70.45 50.62 0.12 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -84.2 -47.55 10.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 110.267 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -85.2 -20.36 30.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.528 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.616 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 77.2 30.21 55.21 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.401 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.6 p . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.121 -0.942 . . . . 0.0 111.292 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.705 0.288 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.644 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 80.1 ttt180 -162.8 -63.81 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.104 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.644 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.35 33.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.88 0.372 . . . . 0.0 111.847 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.569 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -173.72 -54.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.782 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.733 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 14.8 mp0 -88.7 51.97 2.31 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.496 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.49 -45.23 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.294 0.569 . . . . 0.0 109.507 178.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.496 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.53 -45.58 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.142 -0.936 . . . . 0.0 108.513 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.43 ' HB2' ' HE1' ' A' ' 8' ' ' MET . 18.4 ptm -89.93 60.43 4.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.21 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.9 mtmm -66.99 66.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.232 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.8 pttm -84.15 -46.2 12.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.514 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 50.5 tp -95.5 -13.4 24.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.753 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.733 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 75.37 31.14 57.48 Favored Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.137 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.613 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 2.0 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 t . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.767 0.317 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.693 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 41.0 ttt85 -166.13 -62.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.022 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.61 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.39 30.23 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.805 0.336 . . . . 0.0 111.702 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -173.49 -50.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.932 179.505 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' A' ' 8' ' ' MET . 12.4 mp0 -90.5 39.26 0.97 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.547 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.05 -43.57 34.02 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.044 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.547 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -109.22 -44.69 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.053 177.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.674 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 62.8 mtm -84.5 61.35 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.562 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 45.6 mtmt -70.34 50.08 0.12 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.0 pttm -84.36 -47.22 10.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 0.0 110.33 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.41 ' HB3' ' CD ' ' A' ' 5' ' ' GLN . 53.1 tp -88.16 -17.4 31.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.681 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.642 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.61 28.4 65.46 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.214 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.6 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.249 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.554 ' H2 ' ' HA ' ' A' ' 6' ' ' TRP . 34.5 t . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.647 0.261 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.676 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 79.3 ttt180 -163.38 -60.92 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.514 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.597 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 36.9 ptt180 -175.44 30.45 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.099 -0.241 . . . . 0.0 111.623 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.19 -56.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.737 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.657 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 15.5 mp0 -86.28 52.59 2.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.671 0.272 . . . . 0.0 111.662 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.554 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -87.03 -46.05 10.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.529 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.2 mmp_? -109.41 -42.34 4.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.505 ' HE1' ' O ' ' A' ' 4' ' ' TRP . 22.5 ptt? -93.03 57.26 2.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.533 179.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.657 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.1 mtpp -64.49 67.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.256 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -87.82 -45.82 9.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.331 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.02 -9.09 34.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.871 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.546 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.69 33.26 58.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.777 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.676 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.2 p . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.215 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.468 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 24.1 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.674 0.273 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.68 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 42.6 ttt85 -163.16 -62.72 0.04 OUTLIER 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.601 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.567 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 37.8 ptt180 -175.66 30.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.647 0.26 . . . . 0.0 111.518 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.27 -55.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.679 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.658 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 16.7 mp0 -85.82 54.73 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.826 0.346 . . . . 0.0 111.299 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.435 ' HA ' ' H3 ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -88.43 -37.12 16.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 -122.19 -41.7 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.55 ' HE3' ' O ' ' A' ' 4' ' ' TRP . 23.0 ptt? -89.82 54.89 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.613 178.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.658 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 56.4 mtpt -66.45 63.63 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.734 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -87.23 -44.58 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.097 0.475 . . . . 0.0 109.937 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -89.11 -16.43 31.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.776 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.569 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 76.75 34.0 44.93 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.726 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.68 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.3 p . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.301 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.695 0.283 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.67 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 34.8 tpt85 -162.52 -65.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.372 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HG2' ' HG3' ' A' ' 2' ' ' ARG . 38.4 ptt180 -175.64 31.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.631 0.253 . . . . 0.0 111.441 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.48 -54.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.687 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.77 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.7 mp0 -89.75 51.44 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.604 0.24 . . . . 0.0 111.482 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.479 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.58 -44.26 14.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.712 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.479 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -110.98 -41.56 4.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.533 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 20.6 ptm -91.76 58.53 3.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.163 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.77 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 54.9 mtpt -67.49 60.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.558 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -87.66 -46.24 9.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.936 0.398 . . . . 0.0 110.134 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 tp -88.83 -7.47 56.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.464 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.1 32.98 69.27 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.227 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.67 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 13.1 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.098 -0.953 . . . . 0.0 111.293 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.422 ' H2 ' ' HA ' ' A' ' 6' ' ' TRP . 29.7 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.779 0.323 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.697 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 79.5 ttt180 -163.66 -62.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.697 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.98 31.48 0.01 OUTLIER 'General case' 0 C--O 1.233 0.187 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.563 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -174.68 -54.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.825 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.663 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 13.3 mp0 -87.1 49.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.787 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.593 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.76 -49.85 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.478 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.593 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.3 mmp_? -104.53 -46.93 4.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.315 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.477 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 20.8 ptt? -87.93 63.11 7.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.194 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.663 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 86.4 mttt -68.95 61.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.156 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -84.65 -48.29 9.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.592 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.5 tp -92.6 -4.85 52.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.641 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.516 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 66.33 31.28 78.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.238 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.683 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.5 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.211 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 34.4 t . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.733 0.301 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.592 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 55.3 ttt-85 -164.48 -62.67 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.173 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -175.07 30.69 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.797 0.332 . . . . 0.0 111.76 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -172.96 -54.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.646 179.356 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.609 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 15.4 mp0 -87.74 48.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.667 0.27 . . . . 0.0 111.678 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.521 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.42 -44.07 18.02 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.598 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.521 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -112.13 -46.4 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.285 178.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 18.4 ptm -86.47 60.6 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.951 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.609 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 87.5 mttt -67.95 62.53 0.08 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.179 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HE2' ' HE2' ' A' ' 8' ' ' MET . 62.1 pttt -86.18 -45.8 10.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.947 0.403 . . . . 0.0 110.514 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 46.0 tp -95.52 -7.93 36.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.748 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.532 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.11 32.78 69.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.114 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.1 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.218 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.794 0.331 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.662 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.0 ttm-85 -163.65 -62.28 0.04 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.229 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.638 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.74 31.71 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.526 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -175.21 -52.79 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.867 179.045 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.64 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 15.3 mp0 -88.12 50.69 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.54 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.07 -47.92 9.71 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.613 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.54 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -108.09 -45.67 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.435 ' HE2' ' CH2' ' A' ' 6' ' ' TRP . 20.4 ptt? -89.88 60.93 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.158 178.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 46.7 mtmt -65.7 66.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.094 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -83.78 -49.17 9.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.988 0.423 . . . . 0.0 110.726 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.3 tp -96.82 -7.5 33.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.776 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.64 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.53 30.73 68.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.642 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.662 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.4 p . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 33.9 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.64 0.257 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.705 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 41.9 ttm180 -166.08 -57.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.81 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.8 ptt180 -175.46 28.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.18 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.715 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 13.5 mp0 -84.43 49.35 1.66 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.52 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.51 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.91 -45.31 15.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.361 0.6 . . . . 0.0 109.592 178.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.51 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -110.87 -37.16 5.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.518 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.569 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 22.4 ptt? -97.05 63.81 1.92 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.81 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.728 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.83 55.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.108 -178.635 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -83.9 -46.45 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.955 0.407 . . . . 0.0 110.223 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.4 tp -87.76 -13.61 41.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.516 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.537 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.84 31.31 60.35 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.252 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.705 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 11.3 p . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.272 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 35.2 t . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.705 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.0 ttm-85 -163.46 -59.94 0.04 OUTLIER 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.594 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.505 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 39.1 ptt180 -175.56 29.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.77 -55.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.669 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.7 mp0 -85.61 52.02 2.35 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.612 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.524 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.26 -50.13 7.61 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.481 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.524 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 14.3 mmp_? -104.67 -43.13 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.535 ' HE1' ' O ' ' A' ' 4' ' ' TRP . 23.3 ptt? -91.31 59.48 3.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.508 179.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.669 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.8 mtpp -68.29 62.56 0.09 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.386 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.6 pttm -86.72 -45.6 10.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.954 0.407 . . . . 0.0 110.126 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.4 tp -90.87 -11.66 38.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.64 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.522 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.01 33.44 59.62 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.812 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.705 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.7 p . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.228 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 19.8 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.75 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.6 ttt180 -165.63 -61.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.462 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.608 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.6 ptt180 -175.55 29.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.22 -51.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.762 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.679 ' HG3' ' O ' ' A' ' 8' ' ' MET . 14.9 mp0 -88.94 45.85 1.33 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -35.77 25.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.409 HH11 ' HG3' ' A' ' 7' ' ' ARG . 28.8 mmm-85 -119.74 -41.16 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.679 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 90.1 mmm -88.06 56.95 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.626 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.595 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.1 mtpp -69.22 54.34 0.1 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 61.4 pttt -84.46 -46.38 11.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.016 0.436 . . . . 0.0 109.999 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 54.1 tp -86.61 -20.33 28.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.661 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.617 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 79.57 34.94 30.33 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.861 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.75 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 12.9 p . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.289 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.8 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.693 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.7 ttt180 -165.2 -62.09 0.03 OUTLIER 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.505 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 7.0 ppt_? -175.41 29.53 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.81 0.338 . . . . 0.0 111.728 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.571 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -171.87 -50.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.674 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.688 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.3 mp0 -92.64 43.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.57 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.08 -46.83 22.31 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.492 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.57 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.1 mmp_? -105.18 -46.09 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.381 177.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.688 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 67.3 mtm -84.09 62.59 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.0 178.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 51.7 mttp -70.77 49.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.8 pttt -84.02 -47.08 11.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.935 0.398 . . . . 0.0 110.276 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 40.0 tp -86.22 -17.58 34.41 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.544 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.566 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.74 31.2 58.66 Favored Glycine 0 CA--C 1.517 0.207 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.465 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 11.8 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.171 -0.919 . . . . 0.0 111.258 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.422 ' N ' ' HA ' ' A' ' 6' ' ' TRP . 3.0 t . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.544 ' HG2' ' HG2' ' A' ' 3' ' ' ARG . 41.4 ttt85 -139.4 -57.0 0.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.749 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.544 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 37.1 ptt180 -173.91 29.31 0.01 OUTLIER 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.661 -0.416 . . . . 0.0 112.015 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.25 -57.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.76 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 13.3 mp0 -87.35 50.45 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.472 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.9 -43.89 13.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.027 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.472 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.12 -44.6 3.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.466 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.8 ptp -89.56 63.55 6.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.272 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.639 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 44.2 mtmt -71.7 57.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.168 -178.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.2 pttm -83.42 -50.5 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.68 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 56.3 tp -80.61 -23.78 39.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.302 0.573 . . . . 0.0 110.131 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.76 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 86.47 35.39 10.6 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.065 -0.971 . . . . 0.0 113.021 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . 32.0 p . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.035 -0.983 . . . . 0.0 111.656 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.459 ' H3 ' ' HA ' ' A' ' 6' ' ' TRP . 26.6 t . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.731 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 42.3 ttt85 -165.77 -64.74 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.731 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.09 32.88 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.787 0.327 . . . . 0.0 111.675 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.554 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.31 -50.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.82 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.663 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 13.5 mp0 -93.07 44.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.577 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -78.97 -49.58 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.022 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.577 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.5 mmp_? -102.15 -47.93 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.338 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.64 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 92.2 mmm -82.18 62.16 5.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.71 178.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 33.9 mtmm -71.59 50.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.277 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.658 ' HZ2' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -82.62 -47.75 11.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.968 0.413 . . . . 0.0 110.237 179.081 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 58.0 tp -86.33 -22.24 26.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.738 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.663 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 78.1 29.55 53.56 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.085 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.69 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.6 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.005 -0.998 . . . . 0.0 111.31 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 26.2 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.748 0.309 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.712 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 45.9 ttm-85 -162.89 -66.27 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.172 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.712 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.11 33.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 111.818 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.06 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.545 179.398 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.612 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 15.2 mp0 -91.66 55.24 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.521 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -90.38 -45.42 9.02 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.607 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.521 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.3 mmp_? -108.55 -44.44 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.597 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.1 ptm -92.71 59.1 3.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.522 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 61.1 mtpt -67.13 66.35 0.07 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.259 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.2 pttt -85.77 -44.49 12.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.063 0.458 . . . . 0.0 110.234 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 50.2 tp -94.26 -13.83 26.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.729 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.612 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.72 34.12 54.15 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.816 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.682 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.0 p . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.039 -0.981 . . . . 0.0 111.249 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.653 0.264 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.778 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 42.3 ttt85 -161.75 -67.43 0.06 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.181 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.778 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.99 31.68 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.874 0.369 . . . . 0.0 111.875 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -172.65 -51.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.398 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.605 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 16.1 mp0 -90.21 54.98 2.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.681 0.277 . . . . 0.0 111.335 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.535 ' O ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.36 -46.96 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.491 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -109.02 -42.23 4.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.306 -0.861 . . . . 0.0 108.681 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.498 ' HE1' ' CH2' ' A' ' 6' ' ' TRP . 22.3 ptt? -92.98 58.36 2.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.247 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 93.0 mttt -66.59 66.08 0.05 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.184 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 14.3 ptmm? -83.46 -47.64 11.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.39 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 63.0 tp -92.99 -13.68 28.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.841 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.605 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 76.8 34.31 43.6 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.656 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.733 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.4 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.06 -0.972 . . . . 0.0 111.329 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.613 ' H3 ' ' HA ' ' A' ' 6' ' ' TRP . 22.7 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.706 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 22.5 tpp180 -165.49 -61.11 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.859 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.541 ' HG2' ' HG3' ' A' ' 2' ' ' ARG . 38.2 ptt180 -175.29 30.02 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.656 0.265 . . . . 0.0 111.546 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.1 -55.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.655 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.706 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.0 mp0 -86.41 47.2 1.44 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.651 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.613 ' HA ' ' H3 ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -80.85 -45.75 16.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.583 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.54 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.5 mmp_? -108.41 -44.6 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.386 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.508 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.5 ptm -91.12 64.93 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.325 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.706 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 42.6 mtpt -70.9 58.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.182 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -84.02 -48.56 9.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.469 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -86.98 -14.16 42.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.521 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.597 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 75.89 31.6 55.39 Favored Glycine 0 N--CA 1.453 -0.175 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.188 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.706 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 10.1 p 43.77 69.48 0.4 Allowed 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.234 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 1 O-C-N 65.915 -35.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 t . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.811 0.338 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.611 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.8 ttm-85 -165.21 -62.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.57 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.03 32.75 0.01 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.89 0.376 . . . . 0.0 111.794 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.62 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.793 179.472 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.681 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 14.0 mp0 -87.32 46.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.522 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.01 -44.6 17.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.547 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.522 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -110.56 -45.12 3.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.493 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.7 ptm -89.1 64.39 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.849 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 52.4 mttp -70.53 57.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.147 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -83.35 -46.95 11.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 0.0 110.523 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.9 tp -90.4 -15.44 30.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.627 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.681 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.72 29.82 60.73 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.174 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.611 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.8 p 43.25 53.34 5.45 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.219 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 1 O-C-N 79.86 -26.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.402 ' H3 ' ' HA ' ' A' ' 6' ' ' TRP . 32.2 t . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.724 0.297 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.666 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.7 ttt180 -164.08 -59.0 0.04 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.593 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.545 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.0 ptt180 -175.37 29.04 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.08 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.693 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.6 mp0 -86.57 51.48 2.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.638 0.256 . . . . 0.0 111.411 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.463 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.42 -43.77 14.34 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.795 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.463 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.79 -43.55 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.426 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 19.6 ptm -89.92 57.97 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.165 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.693 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 56.2 mtpt -67.71 62.09 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.322 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -86.75 -45.16 11.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.944 0.402 . . . . 0.0 110.155 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -90.36 -11.98 39.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.637 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 72.64 35.1 59.32 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.006 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.666 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.7 p 41.94 70.0 0.32 Allowed 'General case' 0 C--O 1.249 1.062 0 CA-C-O 118.108 -0.949 . . . . 0.0 111.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 1 O-C-N 100.611 -13.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.506 ' H1 ' ' HA ' ' A' ' 6' ' ' TRP . 27.1 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.661 0.267 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.825 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 79.4 ttt180 -165.86 -65.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.242 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.825 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.02 34.24 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.84 -49.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.506 179.43 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.683 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.0 mp0 -93.62 45.63 1.16 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.561 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -79.97 -45.63 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.46 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.561 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -106.8 -46.11 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.683 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 91.7 mtp -84.26 60.67 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.74 178.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.598 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 50.0 mtmt -70.45 50.62 0.12 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -84.2 -47.55 10.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 110.267 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -85.2 -20.36 30.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.528 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.616 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 77.2 30.21 55.21 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.401 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.692 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.6 p 42.72 54.36 4.61 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.121 -0.942 . . . . 0.0 111.292 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 1 O-C-N 98.273 -15.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.705 0.288 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.644 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 80.1 ttt180 -162.8 -63.81 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.104 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.644 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.35 33.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.88 0.372 . . . . 0.0 111.847 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.569 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -173.72 -54.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.782 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.733 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 14.8 mp0 -88.7 51.97 2.31 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.496 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.49 -45.23 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.294 0.569 . . . . 0.0 109.507 178.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.496 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.53 -45.58 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.142 -0.936 . . . . 0.0 108.513 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.43 ' HB2' ' HE1' ' A' ' 8' ' ' MET . 18.4 ptm -89.93 60.43 4.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.21 178.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.9 mtmm -66.99 66.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.232 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.8 pttm -84.15 -46.2 12.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.514 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 50.5 tp -95.5 -13.4 24.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.753 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.733 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 75.37 31.14 57.48 Favored Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.137 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.613 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 2.0 p 44.19 54.42 6.07 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 1 O-C-N 103.229 -12.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 t . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.767 0.317 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.693 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 41.0 ttt85 -166.13 -62.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.022 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.61 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.39 30.23 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.805 0.336 . . . . 0.0 111.702 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.552 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -173.49 -50.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.932 179.505 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' A' ' 8' ' ' MET . 12.4 mp0 -90.5 39.26 0.97 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.547 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.05 -43.57 34.02 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.044 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.547 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -109.22 -44.69 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.053 177.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.674 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 62.8 mtm -84.5 61.35 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.562 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 45.6 mtmt -70.34 50.08 0.12 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.0 pttm -84.36 -47.22 10.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 0.0 110.33 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.41 ' HB3' ' CD ' ' A' ' 5' ' ' GLN . 53.1 tp -88.16 -17.4 31.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.681 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.642 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.61 28.4 65.46 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.214 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.6 p 43.37 58.82 3.25 Favored 'General case' 0 C--O 1.249 1.079 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.249 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 1 O-C-N 73.552 -30.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.554 ' H2 ' ' HA ' ' A' ' 6' ' ' TRP . 34.5 t . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.647 0.261 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.676 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 79.3 ttt180 -163.38 -60.92 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.514 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.597 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 36.9 ptt180 -175.44 30.45 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.099 -0.241 . . . . 0.0 111.623 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.19 -56.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.737 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.657 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 15.5 mp0 -86.28 52.59 2.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.671 0.272 . . . . 0.0 111.662 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.554 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -87.03 -46.05 10.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.2 mmp_? -109.41 -42.34 4.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.505 ' HE1' ' O ' ' A' ' 4' ' ' TRP . 22.5 ptt? -93.03 57.26 2.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.533 179.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.657 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.1 mtpp -64.49 67.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.256 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -87.82 -45.82 9.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.331 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.02 -9.09 34.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.871 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.69 33.26 58.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.777 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.676 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.2 p 45.12 72.04 0.23 Allowed 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.215 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 1 O-C-N 80.229 -26.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.468 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 24.1 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.674 0.273 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.68 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 42.6 ttt85 -163.16 -62.72 0.04 OUTLIER 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.601 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.567 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 37.8 ptt180 -175.66 30.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.647 0.26 . . . . 0.0 111.518 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.27 -55.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.679 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.658 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 16.7 mp0 -85.82 54.73 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.826 0.346 . . . . 0.0 111.299 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.435 ' HA ' ' H3 ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -88.43 -37.12 16.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 -122.19 -41.7 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.55 ' HE3' ' O ' ' A' ' 4' ' ' TRP . 23.0 ptt? -89.82 54.89 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.613 178.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.658 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 56.4 mtpt -66.45 63.63 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.734 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -87.23 -44.58 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.097 0.475 . . . . 0.0 109.937 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -89.11 -16.43 31.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.776 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.569 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 76.75 34.0 44.93 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.726 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.68 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.3 p 44.03 71.93 0.22 Allowed 'General case' 0 C--O 1.248 0.995 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.301 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 1 O-C-N 83.225 -24.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.695 0.283 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.67 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 34.8 tpt85 -162.52 -65.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.372 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.43 ' HG2' ' HG3' ' A' ' 2' ' ' ARG . 38.4 ptt180 -175.64 31.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.631 0.253 . . . . 0.0 111.441 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.48 -54.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.687 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.77 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.7 mp0 -89.75 51.44 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.604 0.24 . . . . 0.0 111.482 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.479 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.58 -44.26 14.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.712 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.479 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -110.98 -41.56 4.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.533 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 20.6 ptm -91.76 58.53 3.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.163 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.77 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 54.9 mtpt -67.49 60.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.558 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -87.66 -46.24 9.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.936 0.398 . . . . 0.0 110.134 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 tp -88.83 -7.47 56.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.464 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.1 32.98 69.27 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.227 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.67 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 13.1 p 43.15 73.43 0.14 Allowed 'General case' 0 C--O 1.249 1.038 0 CA-C-O 118.098 -0.953 . . . . 0.0 111.293 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 1 O-C-N 100.803 -13.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.422 ' H2 ' ' HA ' ' A' ' 6' ' ' TRP . 29.7 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.779 0.323 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.697 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 79.5 ttt180 -163.66 -62.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.697 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.98 31.48 0.01 OUTLIER 'General case' 0 C--O 1.233 0.187 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.563 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -174.68 -54.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.825 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.663 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 13.3 mp0 -87.1 49.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.787 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.593 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.76 -49.85 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.478 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.593 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.3 mmp_? -104.53 -46.93 4.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.315 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.477 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 20.8 ptt? -87.93 63.11 7.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.194 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.663 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 86.4 mttt -68.95 61.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.156 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -84.65 -48.29 9.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.592 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.5 tp -92.6 -4.85 52.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.641 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.516 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 66.33 31.28 78.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.238 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.683 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.5 p 43.24 47.75 5.56 Favored 'General case' 0 C--O 1.249 1.052 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.211 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 1 O-C-N 80.717 -26.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 34.4 t . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.733 0.301 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.592 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 55.3 ttt-85 -164.48 -62.67 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.173 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -175.07 30.69 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.797 0.332 . . . . 0.0 111.76 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -172.96 -54.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.646 179.356 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.609 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 15.4 mp0 -87.74 48.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.667 0.27 . . . . 0.0 111.678 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.521 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.42 -44.07 18.02 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.598 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.521 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -112.13 -46.4 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.285 178.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 18.4 ptm -86.47 60.6 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.951 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.609 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 87.5 mttt -67.95 62.53 0.08 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.179 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HE2' ' HE2' ' A' ' 8' ' ' MET . 62.1 pttt -86.18 -45.8 10.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.947 0.403 . . . . 0.0 110.514 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 46.0 tp -95.52 -7.93 36.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.748 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.532 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.11 32.78 69.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.114 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.1 p 44.97 68.46 0.56 Allowed 'General case' 0 C--O 1.248 1.023 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.218 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 1 O-C-N 72.974 -31.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.794 0.331 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.662 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.0 ttm-85 -163.65 -62.28 0.04 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.229 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.638 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.74 31.71 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.526 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -175.21 -52.79 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.867 179.045 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.64 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 15.3 mp0 -88.12 50.69 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.54 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.07 -47.92 9.71 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.613 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.54 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -108.09 -45.67 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.435 ' HE2' ' CH2' ' A' ' 6' ' ' TRP . 20.4 ptt? -89.88 60.93 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.158 178.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 46.7 mtmt -65.7 66.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.094 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -83.78 -49.17 9.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.988 0.423 . . . . 0.0 110.726 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.3 tp -96.82 -7.5 33.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.776 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.64 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.53 30.73 68.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.642 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.662 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.4 p 45.08 52.71 8.25 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 1 O-C-N 100.233 -14.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 33.9 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.64 0.257 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.705 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 41.9 ttm180 -166.08 -57.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.81 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.466 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.8 ptt180 -175.46 28.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.18 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.715 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 13.5 mp0 -84.43 49.35 1.66 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.52 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.51 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.91 -45.31 15.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.361 0.6 . . . . 0.0 109.592 178.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.51 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -110.87 -37.16 5.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.518 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.569 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 22.4 ptt? -97.05 63.81 1.92 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.81 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.728 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.83 55.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.108 -178.635 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -83.9 -46.45 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.955 0.407 . . . . 0.0 110.223 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.4 tp -87.76 -13.61 41.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.516 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.537 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.84 31.31 60.35 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.252 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.705 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 11.3 p 42.68 67.1 0.65 Allowed 'General case' 0 C--O 1.248 1.004 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.272 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 1 O-C-N 75.665 -29.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 35.2 t . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.705 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.0 ttm-85 -163.46 -59.94 0.04 OUTLIER 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.594 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.505 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 39.1 ptt180 -175.56 29.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.77 -55.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.669 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.7 mp0 -85.61 52.02 2.35 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.612 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.524 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.26 -50.13 7.61 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.481 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.524 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 14.3 mmp_? -104.67 -43.13 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.535 ' HE1' ' O ' ' A' ' 4' ' ' TRP . 23.3 ptt? -91.31 59.48 3.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.508 179.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.669 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.8 mtpp -68.29 62.56 0.09 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.386 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.6 pttm -86.72 -45.6 10.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.954 0.407 . . . . 0.0 110.126 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.4 tp -90.87 -11.66 38.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.64 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.522 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.01 33.44 59.62 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.812 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.705 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.7 p 44.41 71.77 0.24 Allowed 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.228 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.381 1 O-C-N 95.761 -16.837 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 19.8 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.75 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.6 ttt180 -165.63 -61.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.462 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.608 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.6 ptt180 -175.55 29.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.22 -51.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.762 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.679 ' HG3' ' O ' ' A' ' 8' ' ' MET . 14.9 mp0 -88.94 45.85 1.33 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.14 -35.77 25.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.409 HH11 ' HG3' ' A' ' 7' ' ' ARG . 28.8 mmm-85 -119.74 -41.16 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.679 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 90.1 mmm -88.06 56.95 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.626 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.1 mtpp -69.22 54.34 0.1 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 61.4 pttt -84.46 -46.38 11.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.016 0.436 . . . . 0.0 109.999 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 54.1 tp -86.61 -20.33 28.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.661 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.617 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 79.57 34.94 30.33 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.861 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.75 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 12.9 p 41.81 73.12 0.14 Allowed 'General case' 0 C--O 1.25 1.106 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.289 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 1 O-C-N 71.695 -31.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.8 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.693 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.7 ttt180 -165.2 -62.09 0.03 OUTLIER 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.505 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 7.0 ppt_? -175.41 29.53 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.81 0.338 . . . . 0.0 111.728 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.571 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -171.87 -50.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.674 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.688 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.3 mp0 -92.64 43.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.57 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.08 -46.83 22.31 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.492 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.57 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.1 mmp_? -105.18 -46.09 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.381 177.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.688 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 67.3 mtm -84.09 62.59 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.0 178.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 51.7 mttp -70.77 49.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.8 pttt -84.02 -47.08 11.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.935 0.398 . . . . 0.0 110.276 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 40.0 tp -86.22 -17.58 34.41 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.544 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.566 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.74 31.2 58.66 Favored Glycine 0 CA--C 1.517 0.207 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.465 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 11.8 p 43.63 69.92 0.36 Allowed 'General case' 0 C--O 1.249 1.074 0 CA-C-O 118.171 -0.919 . . . . 0.0 111.258 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 1 O-C-N 97.819 -15.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.422 ' N ' ' HA ' ' A' ' 6' ' ' TRP . 3.0 t . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.544 ' HG2' ' HG2' ' A' ' 3' ' ' ARG . 41.4 ttt85 -139.4 -57.0 0.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.749 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.544 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 37.1 ptt180 -173.91 29.31 0.01 OUTLIER 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.661 -0.416 . . . . 0.0 112.015 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.25 -57.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.76 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 13.3 mp0 -87.35 50.45 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.472 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.9 -43.89 13.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.027 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.472 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.12 -44.6 3.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.466 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.8 ptp -89.56 63.55 6.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.272 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.639 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 44.2 mtmt -71.7 57.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.168 -178.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.2 pttm -83.42 -50.5 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.68 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 56.3 tp -80.61 -23.78 39.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.302 0.573 . . . . 0.0 110.131 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.76 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 86.47 35.39 10.6 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.065 -0.971 . . . . 0.0 113.021 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 5' ' ' GLN . 32.0 p 39.58 67.0 0.5 Allowed 'General case' 0 C--O 1.248 1.006 0 CA-C-O 118.035 -0.983 . . . . 0.0 111.656 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 1 O-C-N 91.542 -19.474 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.459 ' H3 ' ' HA ' ' A' ' 6' ' ' TRP . 26.6 t . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.731 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 42.3 ttt85 -165.77 -64.74 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.731 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.09 32.88 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.787 0.327 . . . . 0.0 111.675 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.554 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.31 -50.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.82 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.663 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 13.5 mp0 -93.07 44.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -78.97 -49.58 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.022 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.577 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.5 mmp_? -102.15 -47.93 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.338 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.64 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 92.2 mmm -82.18 62.16 5.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.71 178.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 33.9 mtmm -71.59 50.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.277 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.658 ' HZ2' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -82.62 -47.75 11.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.968 0.413 . . . . 0.0 110.237 179.081 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 58.0 tp -86.33 -22.24 26.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.738 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.663 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 78.1 29.55 53.56 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.085 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.69 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.6 p 43.18 57.61 3.68 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-O 118.005 -0.998 . . . . 0.0 111.31 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 1 O-C-N 74.52 -30.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 26.2 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.748 0.309 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.712 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 45.9 ttm-85 -162.89 -66.27 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.172 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.712 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.11 33.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 111.818 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.06 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.545 179.398 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.612 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 15.2 mp0 -91.66 55.24 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.521 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -90.38 -45.42 9.02 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.607 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.521 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.3 mmp_? -108.55 -44.44 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.597 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.1 ptm -92.71 59.1 3.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.522 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 61.1 mtpt -67.13 66.35 0.07 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.259 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.2 pttt -85.77 -44.49 12.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.063 0.458 . . . . 0.0 110.234 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 50.2 tp -94.26 -13.83 26.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.729 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.612 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.72 34.12 54.15 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.816 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.682 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.0 p 42.63 59.0 2.93 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-O 118.039 -0.981 . . . . 0.0 111.249 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 1 O-C-N 67.767 -34.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.653 0.264 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.778 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 42.3 ttt85 -161.75 -67.43 0.06 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.181 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.778 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.99 31.68 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.874 0.369 . . . . 0.0 111.875 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -172.65 -51.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.398 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.605 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 16.1 mp0 -90.21 54.98 2.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.681 0.277 . . . . 0.0 111.335 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.535 ' O ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -88.36 -46.96 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.491 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -109.02 -42.23 4.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.306 -0.861 . . . . 0.0 108.681 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.498 ' HE1' ' CH2' ' A' ' 6' ' ' TRP . 22.3 ptt? -92.98 58.36 2.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.247 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 93.0 mttt -66.59 66.08 0.05 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.184 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 14.3 ptmm? -83.46 -47.64 11.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.39 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 63.0 tp -92.99 -13.68 28.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.841 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.605 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 76.8 34.31 43.6 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.656 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.733 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.4 p 43.25 58.91 3.17 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-O 118.06 -0.972 . . . . 0.0 111.329 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 1 O-C-N 68.115 -34.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 22.7 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.737 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 22.5 tpp180 -165.49 -61.11 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.859 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.546 ' HG2' ' HG3' ' A' ' 2' ' ' ARG . 38.2 ptt180 -175.29 30.02 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.656 0.265 . . . . 0.0 111.546 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.1 -55.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.655 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.705 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.0 mp0 -86.41 47.2 1.44 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.651 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.591 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.85 -45.75 16.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.583 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.591 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.5 mmp_? -108.41 -44.6 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.386 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.516 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.5 ptm -91.12 64.93 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.325 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.705 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 42.6 mtpt -70.9 58.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.182 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 21.3 ptmt -84.02 -48.56 9.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.469 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 45.6 tp -86.98 -14.16 42.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.521 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.613 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 75.89 31.6 55.39 Favored Glycine 0 N--CA 1.453 -0.175 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.188 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.737 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 10.1 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.234 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 t . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.811 0.338 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.63 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.8 ttm-85 -165.21 -62.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.581 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.03 32.75 0.01 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.89 0.376 . . . . 0.0 111.794 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.555 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -174.62 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.793 179.472 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.689 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 14.0 mp0 -87.32 46.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.577 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.01 -44.6 17.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.547 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.577 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -110.56 -45.12 3.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.5 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.7 ptm -89.1 64.39 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.849 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.65 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 52.4 mttp -70.53 57.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.147 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -83.35 -46.95 11.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 0.0 110.523 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.9 tp -90.4 -15.44 30.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.627 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.689 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.72 29.82 60.73 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.174 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.63 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.8 p . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.219 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.724 0.297 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.697 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.7 ttt180 -164.08 -59.0 0.04 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.593 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.527 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.0 ptt180 -175.37 29.04 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.08 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.678 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.6 mp0 -86.57 51.48 2.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.638 0.256 . . . . 0.0 111.411 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.519 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.42 -43.77 14.34 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.795 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.519 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.79 -43.55 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 19.6 ptm -89.92 57.97 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.165 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.678 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 56.2 mtpt -67.71 62.09 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.322 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -86.75 -45.16 11.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.944 0.402 . . . . 0.0 110.155 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -90.36 -11.98 39.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.637 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.531 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 72.64 35.1 59.32 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.006 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.697 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.7 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.108 -0.949 . . . . 0.0 111.327 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.1 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.661 0.267 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.831 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 79.4 ttt180 -165.86 -65.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.242 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.831 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.02 34.24 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.84 -49.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.506 179.43 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.7 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.0 mp0 -93.62 45.63 1.16 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.612 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -79.97 -45.63 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.46 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.612 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -106.8 -46.11 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.7 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 91.7 mtp -84.26 60.67 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.74 178.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 50.0 mtmt -70.45 50.62 0.12 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -84.2 -47.55 10.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 110.267 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -85.2 -20.36 30.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.528 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.625 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 77.2 30.21 55.21 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.401 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.717 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.6 p . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.121 -0.942 . . . . 0.0 111.292 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.705 0.288 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.659 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 80.1 ttt180 -162.8 -63.81 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.104 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.659 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.35 33.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.88 0.372 . . . . 0.0 111.847 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.585 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -173.72 -54.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.782 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.76 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 14.8 mp0 -88.7 51.97 2.31 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.552 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.49 -45.23 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.294 0.569 . . . . 0.0 109.507 178.693 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.552 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.53 -45.58 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.142 -0.936 . . . . 0.0 108.513 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.4 ptm -89.93 60.43 4.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.21 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.9 mtmm -66.99 66.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.232 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.8 pttm -84.15 -46.2 12.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.514 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 50.5 tp -95.5 -13.4 24.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.753 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.76 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 75.37 31.14 57.48 Favored Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.137 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 2.0 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 t . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.767 0.317 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.724 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 41.0 ttt85 -166.13 -62.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.022 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.618 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.39 30.23 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.805 0.336 . . . . 0.0 111.702 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.552 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -173.49 -50.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.932 179.505 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.682 ' HG3' ' O ' ' A' ' 8' ' ' MET . 12.4 mp0 -90.5 39.26 0.97 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.593 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.05 -43.57 34.02 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.044 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.593 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -109.22 -44.69 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.053 177.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.682 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 62.8 mtm -84.5 61.35 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.562 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 45.6 mtmt -70.34 50.08 0.12 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.0 pttm -84.36 -47.22 10.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 0.0 110.33 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' HB3' ' CD ' ' A' ' 5' ' ' GLN . 53.1 tp -88.16 -17.4 31.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.681 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.653 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.61 28.4 65.46 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.214 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.724 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.6 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.249 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 34.5 t . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.647 0.261 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.709 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 79.3 ttt180 -163.38 -60.92 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.514 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.582 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 36.9 ptt180 -175.44 30.45 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.099 -0.241 . . . . 0.0 111.623 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.19 -56.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.737 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.64 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 15.5 mp0 -86.28 52.59 2.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.671 0.272 . . . . 0.0 111.662 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.586 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -87.03 -46.05 10.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.586 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.2 mmp_? -109.41 -42.34 4.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -93.03 57.26 2.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.533 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.64 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.1 mtpp -64.49 67.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.256 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -87.82 -45.82 9.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.331 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.02 -9.09 34.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.871 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.551 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.69 33.26 58.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.777 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.709 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.2 p . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.215 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 24.1 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.674 0.273 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.707 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 42.6 ttt85 -163.16 -62.72 0.04 OUTLIER 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.601 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.547 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 37.8 ptt180 -175.66 30.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.647 0.26 . . . . 0.0 111.518 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.27 -55.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.679 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.634 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 16.7 mp0 -85.82 54.73 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.826 0.346 . . . . 0.0 111.299 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -37.12 16.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 -122.19 -41.7 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -89.82 54.89 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.613 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.634 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 56.4 mtpt -66.45 63.63 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.734 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -87.23 -44.58 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.097 0.475 . . . . 0.0 109.937 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -89.11 -16.43 31.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.776 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.58 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 76.75 34.0 44.93 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.726 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.707 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.3 p . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.301 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.695 0.283 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.7 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 34.8 tpt85 -162.52 -65.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.372 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HG2' ' HG3' ' A' ' 2' ' ' ARG . 38.4 ptt180 -175.64 31.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.631 0.253 . . . . 0.0 111.441 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.48 -54.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.687 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.767 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.7 mp0 -89.75 51.44 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.604 0.24 . . . . 0.0 111.482 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.52 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.58 -44.26 14.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.712 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.52 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -110.98 -41.56 4.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.547 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 20.6 ptm -91.76 58.53 3.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.163 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.767 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 54.9 mtpt -67.49 60.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.558 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -87.66 -46.24 9.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.936 0.398 . . . . 0.0 110.134 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 tp -88.83 -7.47 56.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.464 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.1 32.98 69.27 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.227 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.7 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 13.1 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.098 -0.953 . . . . 0.0 111.293 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.779 0.323 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.712 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 79.5 ttt180 -163.66 -62.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.712 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.98 31.48 0.01 OUTLIER 'General case' 0 C--O 1.233 0.187 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.576 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -174.68 -54.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.825 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.652 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 13.3 mp0 -87.1 49.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.787 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.66 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.76 -49.85 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.478 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.66 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.3 mmp_? -104.53 -46.93 4.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.315 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.485 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 20.8 ptt? -87.93 63.11 7.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.194 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 86.4 mttt -68.95 61.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.156 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -84.65 -48.29 9.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.592 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.5 tp -92.6 -4.85 52.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.641 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.527 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 66.33 31.28 78.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.238 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.5 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.211 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.733 0.301 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.623 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 55.3 ttt-85 -164.48 -62.67 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.173 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -175.07 30.69 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.797 0.332 . . . . 0.0 111.76 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.546 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -172.96 -54.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.646 179.356 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.596 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 15.4 mp0 -87.74 48.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.667 0.27 . . . . 0.0 111.678 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.564 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.42 -44.07 18.02 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.598 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.564 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -112.13 -46.4 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.285 178.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.483 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 18.4 ptm -86.47 60.6 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.951 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.596 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 87.5 mttt -67.95 62.53 0.08 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.179 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.1 pttt -86.18 -45.8 10.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.947 0.403 . . . . 0.0 110.514 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 46.0 tp -95.52 -7.93 36.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.748 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.537 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.11 32.78 69.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.114 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.1 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.218 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.794 0.331 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.691 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.0 ttm-85 -163.65 -62.28 0.04 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.229 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.651 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.74 31.71 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.542 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -175.21 -52.79 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.867 179.045 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.642 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 15.3 mp0 -88.12 50.69 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.597 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.07 -47.92 9.71 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.613 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.597 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -108.09 -45.67 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -89.88 60.93 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.158 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 46.7 mtmt -65.7 66.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.094 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -83.78 -49.17 9.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.988 0.423 . . . . 0.0 110.726 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.3 tp -96.82 -7.5 33.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.776 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.642 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.53 30.73 68.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.642 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.691 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.4 p . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 33.9 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.64 0.257 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.73 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 41.9 ttm180 -166.08 -57.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.81 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.8 ptt180 -175.46 28.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.18 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.708 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 13.5 mp0 -84.43 49.35 1.66 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.52 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.585 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.91 -45.31 15.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.361 0.6 . . . . 0.0 109.592 178.86 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.585 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -110.87 -37.16 5.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.518 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.582 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 22.4 ptt? -97.05 63.81 1.92 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.81 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.75 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.83 55.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.108 -178.635 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -83.9 -46.45 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.955 0.407 . . . . 0.0 110.223 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.4 tp -87.76 -13.61 41.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.516 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.536 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.84 31.31 60.35 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.252 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.73 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 11.3 p . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.272 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 35.2 t . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.735 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.0 ttm-85 -163.46 -59.94 0.04 OUTLIER 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.594 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.492 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 39.1 ptt180 -175.56 29.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.77 -55.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.656 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.7 mp0 -85.61 52.02 2.35 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.612 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.594 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.26 -50.13 7.61 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.481 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.594 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 14.3 mmp_? -104.67 -43.13 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 23.3 ptt? -91.31 59.48 3.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.508 179.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.656 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.8 mtpp -68.29 62.56 0.09 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.386 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.6 pttm -86.72 -45.6 10.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.954 0.407 . . . . 0.0 110.126 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.4 tp -90.87 -11.66 38.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.64 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.523 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.01 33.44 59.62 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.812 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.735 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.7 p . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.228 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 19.8 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.773 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.6 ttt180 -165.63 -61.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.462 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.598 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.6 ptt180 -175.55 29.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.22 -51.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.762 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.696 ' HG3' ' O ' ' A' ' 8' ' ' MET . 14.9 mp0 -88.94 45.85 1.33 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.444 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.14 -35.77 25.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.238 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.444 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 28.8 mmm-85 -119.74 -41.16 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.696 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 90.1 mmm -88.06 56.95 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.626 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.592 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.1 mtpp -69.22 54.34 0.1 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 61.4 pttt -84.46 -46.38 11.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.016 0.436 . . . . 0.0 109.999 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 54.1 tp -86.61 -20.33 28.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.661 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.633 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 79.57 34.94 30.33 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.861 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.773 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 12.9 p . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.289 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.8 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.716 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.7 ttt180 -165.2 -62.09 0.03 OUTLIER 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.518 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 7.0 ppt_? -175.41 29.53 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.81 0.338 . . . . 0.0 111.728 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.571 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -171.87 -50.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.674 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.704 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.3 mp0 -92.64 43.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.623 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.08 -46.83 22.31 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.492 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.623 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.1 mmp_? -105.18 -46.09 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.381 177.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.704 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 67.3 mtm -84.09 62.59 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.0 178.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 51.7 mttp -70.77 49.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.8 pttt -84.02 -47.08 11.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.935 0.398 . . . . 0.0 110.276 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 40.0 tp -86.22 -17.58 34.41 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.544 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.577 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.74 31.2 58.66 Favored Glycine 0 CA--C 1.517 0.207 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.465 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 11.8 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.171 -0.919 . . . . 0.0 111.258 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.451 ' N ' ' HA ' ' A' ' 6' ' ' TRP . 3.0 t . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.533 ' HG2' ' HG2' ' A' ' 3' ' ' ARG . 41.4 ttt85 -139.4 -57.0 0.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.749 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.533 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 37.1 ptt180 -173.91 29.31 0.01 OUTLIER 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.661 -0.416 . . . . 0.0 112.015 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.25 -57.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.814 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 13.3 mp0 -87.35 50.45 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.525 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.9 -43.89 13.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.027 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.525 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.12 -44.6 3.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.479 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.8 ptp -89.56 63.55 6.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.272 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.628 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 44.2 mtmt -71.7 57.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.168 -178.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.2 pttm -83.42 -50.5 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.68 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 56.3 tp -80.61 -23.78 39.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.302 0.573 . . . . 0.0 110.131 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.814 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 86.47 35.39 10.6 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.065 -0.971 . . . . 0.0 113.021 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.604 ' H ' ' CG ' ' A' ' 5' ' ' GLN . 32.0 p . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.035 -0.983 . . . . 0.0 111.656 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.739 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 42.3 ttt85 -165.77 -64.74 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.739 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.09 32.88 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.787 0.327 . . . . 0.0 111.675 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.554 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.31 -50.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.82 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.694 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 13.5 mp0 -93.07 44.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.656 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -78.97 -49.58 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.022 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.656 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.5 mmp_? -102.15 -47.93 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.338 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.65 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 92.2 mmm -82.18 62.16 5.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.71 178.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 33.9 mtmm -71.59 50.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.277 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.562 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -82.62 -47.75 11.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.968 0.413 . . . . 0.0 110.237 179.081 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 58.0 tp -86.33 -22.24 26.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.738 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.694 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 78.1 29.55 53.56 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.085 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.6 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.005 -0.998 . . . . 0.0 111.31 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.748 0.309 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.735 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 45.9 ttm-85 -162.89 -66.27 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.172 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.735 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.11 33.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 111.818 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.06 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.545 179.398 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.622 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 15.2 mp0 -91.66 55.24 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.584 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -90.38 -45.42 9.02 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.607 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.584 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.3 mmp_? -108.55 -44.44 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.597 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.1 ptm -92.71 59.1 3.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.522 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 61.1 mtpt -67.13 66.35 0.07 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.259 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.2 pttt -85.77 -44.49 12.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.063 0.458 . . . . 0.0 110.234 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 50.2 tp -94.26 -13.83 26.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.729 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.622 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.72 34.12 54.15 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.816 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.0 p . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.039 -0.981 . . . . 0.0 111.249 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.653 0.264 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.786 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 42.3 ttt85 -161.75 -67.43 0.06 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.181 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.786 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.99 31.68 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.874 0.369 . . . . 0.0 111.875 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.535 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -172.65 -51.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.398 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.631 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 16.1 mp0 -90.21 54.98 2.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.681 0.277 . . . . 0.0 111.335 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.553 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -88.36 -46.96 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.706 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.553 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -109.02 -42.23 4.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.306 -0.861 . . . . 0.0 108.681 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -92.98 58.36 2.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.247 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 93.0 mttt -66.59 66.08 0.05 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.184 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 14.3 ptmm? -83.46 -47.64 11.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.39 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 63.0 tp -92.99 -13.68 28.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.841 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.631 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 76.8 34.31 43.6 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.656 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.762 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.4 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.06 -0.972 . . . . 0.0 111.329 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 22.7 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.737 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 22.5 tpp180 -165.49 -61.11 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.859 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.546 ' HG2' ' HG3' ' A' ' 2' ' ' ARG . 38.2 ptt180 -175.29 30.02 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.656 0.265 . . . . 0.0 111.546 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.1 -55.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.655 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.705 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.0 mp0 -86.41 47.2 1.44 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.651 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.591 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.85 -45.75 16.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.583 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.591 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.5 mmp_? -108.41 -44.6 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.386 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.516 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.5 ptm -91.12 64.93 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.325 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.705 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 42.6 mtpt -70.9 58.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.182 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 21.3 ptmt -84.02 -48.56 9.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.469 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 45.6 tp -86.98 -14.16 42.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.521 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.613 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 75.89 31.6 55.39 Favored Glycine 0 N--CA 1.453 -0.175 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.188 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.737 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 10.1 p 43.77 69.48 0.4 Allowed 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.234 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 1 O-C-N 65.915 -35.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 t . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.811 0.338 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.63 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.8 ttm-85 -165.21 -62.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.581 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.03 32.75 0.01 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.89 0.376 . . . . 0.0 111.794 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.555 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -174.62 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.793 179.472 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.689 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 14.0 mp0 -87.32 46.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.01 -44.6 17.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.547 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.577 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -110.56 -45.12 3.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.5 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.7 ptm -89.1 64.39 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.849 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.65 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 52.4 mttp -70.53 57.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.147 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -83.35 -46.95 11.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 0.0 110.523 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.9 tp -90.4 -15.44 30.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.627 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.689 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.72 29.82 60.73 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.174 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.63 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.8 p 43.25 53.34 5.45 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.219 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 1 O-C-N 79.86 -26.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.724 0.297 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.697 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.7 ttt180 -164.08 -59.0 0.04 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.593 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.527 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.0 ptt180 -175.37 29.04 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.08 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.678 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.6 mp0 -86.57 51.48 2.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.638 0.256 . . . . 0.0 111.411 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.519 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.42 -43.77 14.34 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.795 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.519 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.79 -43.55 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 19.6 ptm -89.92 57.97 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.165 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.678 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 56.2 mtpt -67.71 62.09 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.322 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -86.75 -45.16 11.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.944 0.402 . . . . 0.0 110.155 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -90.36 -11.98 39.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.637 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.531 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 72.64 35.1 59.32 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.006 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.697 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.7 p 41.94 70.0 0.32 Allowed 'General case' 0 C--O 1.249 1.062 0 CA-C-O 118.108 -0.949 . . . . 0.0 111.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 1 O-C-N 100.611 -13.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.1 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.661 0.267 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.831 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 79.4 ttt180 -165.86 -65.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.242 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.831 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.02 34.24 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.84 -49.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.506 179.43 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.7 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.0 mp0 -93.62 45.63 1.16 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.612 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -79.97 -45.63 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.46 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.612 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -106.8 -46.11 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.7 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 91.7 mtp -84.26 60.67 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.74 178.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 50.0 mtmt -70.45 50.62 0.12 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -84.2 -47.55 10.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 110.267 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -85.2 -20.36 30.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.528 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.625 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 77.2 30.21 55.21 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.401 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.717 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.6 p 42.72 54.36 4.61 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.121 -0.942 . . . . 0.0 111.292 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 1 O-C-N 98.273 -15.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.705 0.288 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.659 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 80.1 ttt180 -162.8 -63.81 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.104 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.659 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.35 33.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.88 0.372 . . . . 0.0 111.847 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.585 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -173.72 -54.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.782 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.76 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 14.8 mp0 -88.7 51.97 2.31 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.552 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.49 -45.23 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.294 0.569 . . . . 0.0 109.507 178.693 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.552 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.53 -45.58 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.142 -0.936 . . . . 0.0 108.513 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.4 ptm -89.93 60.43 4.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.21 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.9 mtmm -66.99 66.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.232 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.8 pttm -84.15 -46.2 12.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.514 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 50.5 tp -95.5 -13.4 24.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.753 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.76 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 75.37 31.14 57.48 Favored Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.137 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 2.0 p 44.19 54.42 6.07 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 1 O-C-N 103.229 -12.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 t . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.767 0.317 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.724 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 41.0 ttt85 -166.13 -62.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.022 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.618 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.39 30.23 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.805 0.336 . . . . 0.0 111.702 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.552 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -173.49 -50.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.932 179.505 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.682 ' HG3' ' O ' ' A' ' 8' ' ' MET . 12.4 mp0 -90.5 39.26 0.97 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.593 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.05 -43.57 34.02 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.044 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.593 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -109.22 -44.69 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.053 177.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.682 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 62.8 mtm -84.5 61.35 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.562 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 45.6 mtmt -70.34 50.08 0.12 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.0 pttm -84.36 -47.22 10.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 0.0 110.33 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.421 ' HB3' ' CD ' ' A' ' 5' ' ' GLN . 53.1 tp -88.16 -17.4 31.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.681 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.653 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.61 28.4 65.46 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.214 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.724 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.6 p 43.37 58.82 3.25 Favored 'General case' 0 C--O 1.249 1.079 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.249 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 1 O-C-N 73.552 -30.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 34.5 t . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.647 0.261 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.709 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 79.3 ttt180 -163.38 -60.92 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.514 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.582 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 36.9 ptt180 -175.44 30.45 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.099 -0.241 . . . . 0.0 111.623 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.19 -56.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.737 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.64 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 15.5 mp0 -86.28 52.59 2.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.671 0.272 . . . . 0.0 111.662 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.586 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -87.03 -46.05 10.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.586 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.2 mmp_? -109.41 -42.34 4.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -93.03 57.26 2.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.533 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.64 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.1 mtpp -64.49 67.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.256 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -87.82 -45.82 9.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.331 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.02 -9.09 34.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.871 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.551 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.69 33.26 58.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.777 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.709 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.2 p 45.12 72.04 0.23 Allowed 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.215 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 1 O-C-N 80.229 -26.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 24.1 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.674 0.273 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.707 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 42.6 ttt85 -163.16 -62.72 0.04 OUTLIER 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.601 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.547 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 37.8 ptt180 -175.66 30.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.647 0.26 . . . . 0.0 111.518 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.27 -55.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.679 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.634 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 16.7 mp0 -85.82 54.73 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.826 0.346 . . . . 0.0 111.299 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -37.12 16.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 -122.19 -41.7 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -89.82 54.89 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.613 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.634 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 56.4 mtpt -66.45 63.63 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.734 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -87.23 -44.58 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.097 0.475 . . . . 0.0 109.937 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -89.11 -16.43 31.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.776 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.58 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 76.75 34.0 44.93 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.726 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.707 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.3 p 44.03 71.93 0.22 Allowed 'General case' 0 C--O 1.248 0.995 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.301 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 1 O-C-N 83.225 -24.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.695 0.283 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.7 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 34.8 tpt85 -162.52 -65.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.372 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HG2' ' HG3' ' A' ' 2' ' ' ARG . 38.4 ptt180 -175.64 31.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.631 0.253 . . . . 0.0 111.441 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.48 -54.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.687 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.767 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.7 mp0 -89.75 51.44 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.604 0.24 . . . . 0.0 111.482 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.52 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.58 -44.26 14.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.712 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -110.98 -41.56 4.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.547 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 20.6 ptm -91.76 58.53 3.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.163 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.767 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 54.9 mtpt -67.49 60.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.558 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -87.66 -46.24 9.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.936 0.398 . . . . 0.0 110.134 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 tp -88.83 -7.47 56.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.464 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.1 32.98 69.27 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.227 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.7 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 13.1 p 43.15 73.43 0.14 Allowed 'General case' 0 C--O 1.249 1.038 0 CA-C-O 118.098 -0.953 . . . . 0.0 111.293 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 1 O-C-N 100.803 -13.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.779 0.323 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.712 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 79.5 ttt180 -163.66 -62.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.712 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.98 31.48 0.01 OUTLIER 'General case' 0 C--O 1.233 0.187 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.576 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -174.68 -54.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.825 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.652 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 13.3 mp0 -87.1 49.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.787 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.66 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.76 -49.85 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.478 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.66 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.3 mmp_? -104.53 -46.93 4.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.315 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.485 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 20.8 ptt? -87.93 63.11 7.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.194 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 86.4 mttt -68.95 61.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.156 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -84.65 -48.29 9.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.592 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.5 tp -92.6 -4.85 52.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.641 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.527 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 66.33 31.28 78.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.238 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.5 p 43.24 47.75 5.56 Favored 'General case' 0 C--O 1.249 1.052 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.211 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 1 O-C-N 80.717 -26.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.733 0.301 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.623 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 55.3 ttt-85 -164.48 -62.67 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.173 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -175.07 30.69 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.797 0.332 . . . . 0.0 111.76 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.546 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -172.96 -54.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.646 179.356 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.596 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 15.4 mp0 -87.74 48.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.667 0.27 . . . . 0.0 111.678 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.564 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.42 -44.07 18.02 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.598 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.564 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -112.13 -46.4 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.285 178.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.483 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 18.4 ptm -86.47 60.6 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.951 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.596 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 87.5 mttt -67.95 62.53 0.08 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.179 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.1 pttt -86.18 -45.8 10.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.947 0.403 . . . . 0.0 110.514 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 46.0 tp -95.52 -7.93 36.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.748 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.537 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.11 32.78 69.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.114 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.1 p 44.97 68.46 0.56 Allowed 'General case' 0 C--O 1.248 1.023 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.218 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 1 O-C-N 72.974 -31.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.794 0.331 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.691 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.0 ttm-85 -163.65 -62.28 0.04 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.229 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.651 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.74 31.71 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.542 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -175.21 -52.79 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.867 179.045 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.642 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 15.3 mp0 -88.12 50.69 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.597 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.07 -47.92 9.71 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.613 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.597 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -108.09 -45.67 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -89.88 60.93 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.158 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 46.7 mtmt -65.7 66.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.094 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -83.78 -49.17 9.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.988 0.423 . . . . 0.0 110.726 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.3 tp -96.82 -7.5 33.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.776 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.642 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.53 30.73 68.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.642 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.691 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.4 p 45.08 52.71 8.25 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 1 O-C-N 100.233 -14.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 33.9 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.64 0.257 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.73 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 41.9 ttm180 -166.08 -57.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.81 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.8 ptt180 -175.46 28.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.18 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.708 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 13.5 mp0 -84.43 49.35 1.66 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.52 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.585 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.91 -45.31 15.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.361 0.6 . . . . 0.0 109.592 178.86 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.585 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -110.87 -37.16 5.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.518 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.582 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 22.4 ptt? -97.05 63.81 1.92 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.81 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.75 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.83 55.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.108 -178.635 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -83.9 -46.45 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.955 0.407 . . . . 0.0 110.223 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.4 tp -87.76 -13.61 41.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.516 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.536 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.84 31.31 60.35 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.252 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.73 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 11.3 p 42.68 67.1 0.65 Allowed 'General case' 0 C--O 1.248 1.004 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.272 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 1 O-C-N 75.665 -29.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 35.2 t . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.735 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.0 ttm-85 -163.46 -59.94 0.04 OUTLIER 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.594 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.492 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 39.1 ptt180 -175.56 29.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.77 -55.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.656 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.7 mp0 -85.61 52.02 2.35 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.612 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.594 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.26 -50.13 7.61 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.481 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.594 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 14.3 mmp_? -104.67 -43.13 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 23.3 ptt? -91.31 59.48 3.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.508 179.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.656 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.8 mtpp -68.29 62.56 0.09 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.386 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.6 pttm -86.72 -45.6 10.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.954 0.407 . . . . 0.0 110.126 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.4 tp -90.87 -11.66 38.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.64 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.523 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.01 33.44 59.62 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.812 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.735 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.7 p 44.41 71.77 0.24 Allowed 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.228 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.381 1 O-C-N 95.761 -16.837 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 19.8 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.773 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.6 ttt180 -165.63 -61.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.462 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.598 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.6 ptt180 -175.55 29.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.22 -51.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.762 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.696 ' HG3' ' O ' ' A' ' 8' ' ' MET . 14.9 mp0 -88.94 45.85 1.33 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.444 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.14 -35.77 25.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.238 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 28.8 mmm-85 -119.74 -41.16 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.696 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 90.1 mmm -88.06 56.95 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.626 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.592 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.1 mtpp -69.22 54.34 0.1 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 61.4 pttt -84.46 -46.38 11.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.016 0.436 . . . . 0.0 109.999 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 54.1 tp -86.61 -20.33 28.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.661 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.633 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 79.57 34.94 30.33 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.861 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.773 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 12.9 p 41.81 73.12 0.14 Allowed 'General case' 0 C--O 1.25 1.106 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.289 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 1 O-C-N 71.695 -31.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.8 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.716 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.7 ttt180 -165.2 -62.09 0.03 OUTLIER 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.518 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 7.0 ppt_? -175.41 29.53 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.81 0.338 . . . . 0.0 111.728 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.571 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -171.87 -50.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.674 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.704 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.3 mp0 -92.64 43.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.623 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.08 -46.83 22.31 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.492 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.623 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.1 mmp_? -105.18 -46.09 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.381 177.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.704 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 67.3 mtm -84.09 62.59 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.0 178.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 51.7 mttp -70.77 49.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.8 pttt -84.02 -47.08 11.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.935 0.398 . . . . 0.0 110.276 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 40.0 tp -86.22 -17.58 34.41 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.544 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.577 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.74 31.2 58.66 Favored Glycine 0 CA--C 1.517 0.207 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.465 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 11.8 p 43.63 69.92 0.36 Allowed 'General case' 0 C--O 1.249 1.074 0 CA-C-O 118.171 -0.919 . . . . 0.0 111.258 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 1 O-C-N 97.819 -15.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.451 ' N ' ' HA ' ' A' ' 6' ' ' TRP . 3.0 t . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.533 ' HG2' ' HG2' ' A' ' 3' ' ' ARG . 41.4 ttt85 -139.4 -57.0 0.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.749 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.533 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 37.1 ptt180 -173.91 29.31 0.01 OUTLIER 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.661 -0.416 . . . . 0.0 112.015 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.25 -57.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.814 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 13.3 mp0 -87.35 50.45 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.525 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.9 -43.89 13.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.027 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.12 -44.6 3.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.479 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.8 ptp -89.56 63.55 6.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.272 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.628 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 44.2 mtmt -71.7 57.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.168 -178.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.2 pttm -83.42 -50.5 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.68 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 56.3 tp -80.61 -23.78 39.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.302 0.573 . . . . 0.0 110.131 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.814 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 86.47 35.39 10.6 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.065 -0.971 . . . . 0.0 113.021 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.604 ' H ' ' CG ' ' A' ' 5' ' ' GLN . 32.0 p 39.58 67.0 0.5 Allowed 'General case' 0 C--O 1.248 1.006 0 CA-C-O 118.035 -0.983 . . . . 0.0 111.656 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 1 O-C-N 91.542 -19.474 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.739 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 42.3 ttt85 -165.77 -64.74 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.739 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.09 32.88 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.787 0.327 . . . . 0.0 111.675 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.554 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.31 -50.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.82 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.694 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 13.5 mp0 -93.07 44.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.656 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -78.97 -49.58 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.022 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.656 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.5 mmp_? -102.15 -47.93 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.338 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.65 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 92.2 mmm -82.18 62.16 5.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.71 178.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 33.9 mtmm -71.59 50.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.277 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.562 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -82.62 -47.75 11.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.968 0.413 . . . . 0.0 110.237 179.081 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 58.0 tp -86.33 -22.24 26.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.738 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.694 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 78.1 29.55 53.56 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.085 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.6 p 43.18 57.61 3.68 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-O 118.005 -0.998 . . . . 0.0 111.31 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 1 O-C-N 74.52 -30.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.748 0.309 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.735 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 45.9 ttm-85 -162.89 -66.27 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.172 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.735 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.11 33.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 111.818 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.06 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.545 179.398 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.622 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 15.2 mp0 -91.66 55.24 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.584 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -90.38 -45.42 9.02 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.607 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.584 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.3 mmp_? -108.55 -44.44 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.597 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.1 ptm -92.71 59.1 3.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.522 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 61.1 mtpt -67.13 66.35 0.07 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.259 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.2 pttt -85.77 -44.49 12.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.063 0.458 . . . . 0.0 110.234 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 50.2 tp -94.26 -13.83 26.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.729 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.622 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.72 34.12 54.15 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.816 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.0 p 42.63 59.0 2.93 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-O 118.039 -0.981 . . . . 0.0 111.249 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 1 O-C-N 67.767 -34.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.653 0.264 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.786 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 42.3 ttt85 -161.75 -67.43 0.06 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.181 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.786 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.99 31.68 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.874 0.369 . . . . 0.0 111.875 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.535 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -172.65 -51.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.398 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.631 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 16.1 mp0 -90.21 54.98 2.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.681 0.277 . . . . 0.0 111.335 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.553 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -88.36 -46.96 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.706 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.553 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -109.02 -42.23 4.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.306 -0.861 . . . . 0.0 108.681 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -92.98 58.36 2.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.247 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 93.0 mttt -66.59 66.08 0.05 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.184 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 14.3 ptmm? -83.46 -47.64 11.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.39 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 63.0 tp -92.99 -13.68 28.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.841 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.631 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 76.8 34.31 43.6 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.656 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.762 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.4 p 43.25 58.91 3.17 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-O 118.06 -0.972 . . . . 0.0 111.329 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 1 O-C-N 68.115 -34.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 22.7 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.737 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 22.5 tpp180 -165.49 -61.11 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.859 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.546 ' HG2' ' HG3' ' A' ' 2' ' ' ARG . 38.2 ptt180 -175.29 30.02 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.656 0.265 . . . . 0.0 111.546 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.1 -55.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.655 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.705 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.0 mp0 -86.41 47.2 1.44 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.651 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.591 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.85 -45.75 16.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.591 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.5 mmp_? -108.41 -44.6 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.386 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.516 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.5 ptm -91.12 64.93 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.325 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.705 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 42.6 mtpt -70.9 58.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.182 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 21.3 ptmt -84.02 -48.56 9.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.469 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 45.6 tp -86.98 -14.16 42.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.521 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.613 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 75.89 31.6 55.39 Favored Glycine 0 N--CA 1.453 -0.175 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.188 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.737 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 10.1 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.234 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 t . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.811 0.338 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.63 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.8 ttm-85 -165.21 -62.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.581 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.03 32.75 0.01 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.89 0.376 . . . . 0.0 111.794 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.555 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -174.62 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.793 179.472 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.689 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 14.0 mp0 -87.32 46.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.577 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.01 -44.6 17.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.577 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -110.56 -45.12 3.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.5 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.7 ptm -89.1 64.39 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.849 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.65 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 52.4 mttp -70.53 57.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.147 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -83.35 -46.95 11.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 0.0 110.523 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.9 tp -90.4 -15.44 30.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.627 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.689 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.72 29.82 60.73 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.174 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.63 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.8 p . . . . . 0 C--O 1.25 1.087 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.219 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.724 0.297 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.697 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.7 ttt180 -164.08 -59.0 0.04 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.593 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.527 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.0 ptt180 -175.37 29.04 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.08 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.678 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.6 mp0 -86.57 51.48 2.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.638 0.256 . . . . 0.0 111.411 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.519 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.42 -43.77 14.34 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.519 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.79 -43.55 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 19.6 ptm -89.92 57.97 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.165 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.678 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 56.2 mtpt -67.71 62.09 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.322 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -86.75 -45.16 11.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.944 0.402 . . . . 0.0 110.155 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -90.36 -11.98 39.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.637 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.531 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 72.64 35.1 59.32 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.006 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.697 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.7 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.108 -0.949 . . . . 0.0 111.327 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.1 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.661 0.267 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.831 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 79.4 ttt180 -165.86 -65.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.242 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.831 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.02 34.24 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.84 -49.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.506 179.43 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.7 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.0 mp0 -93.62 45.63 1.16 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.612 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -79.97 -45.63 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.46 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.612 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -106.8 -46.11 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.7 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 91.7 mtp -84.26 60.67 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.74 178.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 50.0 mtmt -70.45 50.62 0.12 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -84.2 -47.55 10.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 110.267 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -85.2 -20.36 30.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.528 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.625 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 77.2 30.21 55.21 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.401 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.717 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.6 p . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.121 -0.942 . . . . 0.0 111.292 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.705 0.288 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.659 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 80.1 ttt180 -162.8 -63.81 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.104 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.659 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.35 33.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.88 0.372 . . . . 0.0 111.847 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.585 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -173.72 -54.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.782 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.76 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 14.8 mp0 -88.7 51.97 2.31 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.552 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.49 -45.23 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.294 0.569 . . . . 0.0 109.507 178.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.552 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.53 -45.58 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.142 -0.936 . . . . 0.0 108.513 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.4 ptm -89.93 60.43 4.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.21 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.9 mtmm -66.99 66.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.232 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.8 pttm -84.15 -46.2 12.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.514 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 50.5 tp -95.5 -13.4 24.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.753 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.76 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 75.37 31.14 57.48 Favored Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.137 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 2.0 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 t . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.767 0.317 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.724 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 41.0 ttt85 -166.13 -62.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.022 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.618 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.39 30.23 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.805 0.336 . . . . 0.0 111.702 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.552 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -173.49 -50.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.932 179.505 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.682 ' HG3' ' O ' ' A' ' 8' ' ' MET . 12.4 mp0 -90.5 39.26 0.97 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.593 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.05 -43.57 34.02 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.044 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.593 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -109.22 -44.69 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.053 177.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.682 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 62.8 mtm -84.5 61.35 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.562 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 45.6 mtmt -70.34 50.08 0.12 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.0 pttm -84.36 -47.22 10.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 0.0 110.33 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' HB3' ' CD ' ' A' ' 5' ' ' GLN . 53.1 tp -88.16 -17.4 31.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.681 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.653 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.61 28.4 65.46 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.214 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.724 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.6 p . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.249 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 34.5 t . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.647 0.261 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.709 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 79.3 ttt180 -163.38 -60.92 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.514 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.582 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 36.9 ptt180 -175.44 30.45 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.099 -0.241 . . . . 0.0 111.623 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.19 -56.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.737 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.64 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 15.5 mp0 -86.28 52.59 2.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.671 0.272 . . . . 0.0 111.662 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.586 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -87.03 -46.05 10.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.586 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.2 mmp_? -109.41 -42.34 4.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -93.03 57.26 2.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.533 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.64 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.1 mtpp -64.49 67.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.256 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -87.82 -45.82 9.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.331 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.02 -9.09 34.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.871 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.551 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.69 33.26 58.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.777 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.709 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.2 p . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.215 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 24.1 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.674 0.273 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.707 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 42.6 ttt85 -163.16 -62.72 0.04 OUTLIER 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.601 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.547 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 37.8 ptt180 -175.66 30.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.647 0.26 . . . . 0.0 111.518 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.27 -55.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.679 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.634 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 16.7 mp0 -85.82 54.73 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.826 0.346 . . . . 0.0 111.299 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -37.12 16.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 -122.19 -41.7 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -89.82 54.89 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.613 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.634 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 56.4 mtpt -66.45 63.63 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.734 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -87.23 -44.58 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.097 0.475 . . . . 0.0 109.937 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -89.11 -16.43 31.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.776 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.58 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 76.75 34.0 44.93 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.726 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.707 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.3 p . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.301 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.695 0.283 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.7 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 34.8 tpt85 -162.52 -65.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.372 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HG2' ' HG3' ' A' ' 2' ' ' ARG . 38.4 ptt180 -175.64 31.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.631 0.253 . . . . 0.0 111.441 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.48 -54.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.687 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.767 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.7 mp0 -89.75 51.44 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.604 0.24 . . . . 0.0 111.482 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.52 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.58 -44.26 14.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.52 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -110.98 -41.56 4.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.547 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 20.6 ptm -91.76 58.53 3.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.163 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.767 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 54.9 mtpt -67.49 60.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.558 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -87.66 -46.24 9.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.936 0.398 . . . . 0.0 110.134 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 tp -88.83 -7.47 56.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.464 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.1 32.98 69.27 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.227 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.7 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 13.1 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.098 -0.953 . . . . 0.0 111.293 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.779 0.323 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.712 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 79.5 ttt180 -163.66 -62.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.712 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.98 31.48 0.01 OUTLIER 'General case' 0 C--O 1.233 0.187 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.576 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -174.68 -54.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.825 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.652 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 13.3 mp0 -87.1 49.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.787 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.66 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.76 -49.85 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.478 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.66 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.3 mmp_? -104.53 -46.93 4.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.315 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.485 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 20.8 ptt? -87.93 63.11 7.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.194 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 86.4 mttt -68.95 61.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.156 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -84.65 -48.29 9.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.592 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.5 tp -92.6 -4.85 52.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.641 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.527 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 66.33 31.28 78.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.238 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.5 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.211 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.733 0.301 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.623 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 55.3 ttt-85 -164.48 -62.67 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.173 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -175.07 30.69 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.797 0.332 . . . . 0.0 111.76 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.546 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -172.96 -54.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.646 179.356 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.596 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 15.4 mp0 -87.74 48.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.667 0.27 . . . . 0.0 111.678 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.564 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.42 -44.07 18.02 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.598 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.564 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -112.13 -46.4 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.285 178.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.483 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 18.4 ptm -86.47 60.6 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.951 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.596 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 87.5 mttt -67.95 62.53 0.08 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.179 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.1 pttt -86.18 -45.8 10.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.947 0.403 . . . . 0.0 110.514 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 46.0 tp -95.52 -7.93 36.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.748 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.537 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.11 32.78 69.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.114 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.1 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.218 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.794 0.331 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.691 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.0 ttm-85 -163.65 -62.28 0.04 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.229 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.651 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.74 31.71 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.542 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -175.21 -52.79 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.867 179.045 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.642 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 15.3 mp0 -88.12 50.69 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.597 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.07 -47.92 9.71 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.613 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.597 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -108.09 -45.67 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -89.88 60.93 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.158 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 46.7 mtmt -65.7 66.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.094 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -83.78 -49.17 9.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.988 0.423 . . . . 0.0 110.726 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.3 tp -96.82 -7.5 33.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.776 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.642 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.53 30.73 68.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.642 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.691 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.4 p . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 33.9 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.64 0.257 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.73 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 41.9 ttm180 -166.08 -57.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.81 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.8 ptt180 -175.46 28.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.18 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.708 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 13.5 mp0 -84.43 49.35 1.66 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.52 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.585 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.91 -45.31 15.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.361 0.6 . . . . 0.0 109.592 178.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.585 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -110.87 -37.16 5.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.518 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.582 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 22.4 ptt? -97.05 63.81 1.92 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.81 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.75 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.83 55.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.108 -178.635 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -83.9 -46.45 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.955 0.407 . . . . 0.0 110.223 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.4 tp -87.76 -13.61 41.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.516 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.536 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.84 31.31 60.35 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.252 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.73 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 11.3 p . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.272 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 35.2 t . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.735 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.0 ttm-85 -163.46 -59.94 0.04 OUTLIER 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.594 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.492 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 39.1 ptt180 -175.56 29.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.77 -55.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.656 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.7 mp0 -85.61 52.02 2.35 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.612 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.594 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.26 -50.13 7.61 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.481 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.594 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 14.3 mmp_? -104.67 -43.13 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 23.3 ptt? -91.31 59.48 3.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.508 179.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.656 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.8 mtpp -68.29 62.56 0.09 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.386 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.6 pttm -86.72 -45.6 10.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.954 0.407 . . . . 0.0 110.126 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.4 tp -90.87 -11.66 38.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.64 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.523 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.01 33.44 59.62 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.812 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.735 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.7 p . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.228 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 19.8 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.773 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.6 ttt180 -165.63 -61.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.462 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.598 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.6 ptt180 -175.55 29.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.22 -51.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.762 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.696 ' HG3' ' O ' ' A' ' 8' ' ' MET . 14.9 mp0 -88.94 45.85 1.33 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.444 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.14 -35.77 25.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.238 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.444 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 28.8 mmm-85 -119.74 -41.16 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.696 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 90.1 mmm -88.06 56.95 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.626 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.592 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.1 mtpp -69.22 54.34 0.1 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 61.4 pttt -84.46 -46.38 11.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.016 0.436 . . . . 0.0 109.999 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 54.1 tp -86.61 -20.33 28.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.661 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.633 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 79.57 34.94 30.33 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.861 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.773 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 12.9 p . . . . . 0 C--O 1.25 1.106 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.289 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.8 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.716 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.7 ttt180 -165.2 -62.09 0.03 OUTLIER 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.518 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 7.0 ppt_? -175.41 29.53 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.81 0.338 . . . . 0.0 111.728 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.571 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -171.87 -50.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.674 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.704 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.3 mp0 -92.64 43.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.623 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.08 -46.83 22.31 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.492 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.623 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.1 mmp_? -105.18 -46.09 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.381 177.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.704 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 67.3 mtm -84.09 62.59 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.0 178.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 51.7 mttp -70.77 49.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.8 pttt -84.02 -47.08 11.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.935 0.398 . . . . 0.0 110.276 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 40.0 tp -86.22 -17.58 34.41 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.544 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.577 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.74 31.2 58.66 Favored Glycine 0 CA--C 1.517 0.207 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.465 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 11.8 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.171 -0.919 . . . . 0.0 111.258 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.451 ' N ' ' HA ' ' A' ' 6' ' ' TRP . 3.0 t . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.533 ' HG2' ' HG2' ' A' ' 3' ' ' ARG . 41.4 ttt85 -139.4 -57.0 0.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.749 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.533 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 37.1 ptt180 -173.91 29.31 0.01 OUTLIER 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.661 -0.416 . . . . 0.0 112.015 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.25 -57.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.814 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 13.3 mp0 -87.35 50.45 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.525 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.9 -43.89 13.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.027 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.525 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.12 -44.6 3.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.479 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.8 ptp -89.56 63.55 6.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.272 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.628 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 44.2 mtmt -71.7 57.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.168 -178.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.2 pttm -83.42 -50.5 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.68 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 56.3 tp -80.61 -23.78 39.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.302 0.573 . . . . 0.0 110.131 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.814 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 86.47 35.39 10.6 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.065 -0.971 . . . . 0.0 113.021 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.604 ' H ' ' CG ' ' A' ' 5' ' ' GLN . 32.0 p . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.035 -0.983 . . . . 0.0 111.656 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.739 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 42.3 ttt85 -165.77 -64.74 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.739 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.09 32.88 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.787 0.327 . . . . 0.0 111.675 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.554 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.31 -50.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.82 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.694 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 13.5 mp0 -93.07 44.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.656 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -78.97 -49.58 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.022 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.656 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.5 mmp_? -102.15 -47.93 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.338 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.65 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 92.2 mmm -82.18 62.16 5.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.71 178.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 33.9 mtmm -71.59 50.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.277 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.562 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -82.62 -47.75 11.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.968 0.413 . . . . 0.0 110.237 179.081 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 58.0 tp -86.33 -22.24 26.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.738 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.694 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 78.1 29.55 53.56 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.085 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.6 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.005 -0.998 . . . . 0.0 111.31 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.748 0.309 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.735 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 45.9 ttm-85 -162.89 -66.27 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.172 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.735 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.11 33.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 111.818 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.06 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.545 179.398 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.622 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 15.2 mp0 -91.66 55.24 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.584 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -90.38 -45.42 9.02 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.607 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.584 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.3 mmp_? -108.55 -44.44 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.597 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.1 ptm -92.71 59.1 3.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.522 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 61.1 mtpt -67.13 66.35 0.07 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.259 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.2 pttt -85.77 -44.49 12.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.063 0.458 . . . . 0.0 110.234 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 50.2 tp -94.26 -13.83 26.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.729 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.622 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.72 34.12 54.15 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.816 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.0 p . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.039 -0.981 . . . . 0.0 111.249 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.653 0.264 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.786 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 42.3 ttt85 -161.75 -67.43 0.06 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.181 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.786 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.99 31.68 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.874 0.369 . . . . 0.0 111.875 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.535 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -172.65 -51.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.398 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.631 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 16.1 mp0 -90.21 54.98 2.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.681 0.277 . . . . 0.0 111.335 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.553 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -88.36 -46.96 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.553 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -109.02 -42.23 4.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.306 -0.861 . . . . 0.0 108.681 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -92.98 58.36 2.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.247 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 93.0 mttt -66.59 66.08 0.05 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.184 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 14.3 ptmm? -83.46 -47.64 11.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.39 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 63.0 tp -92.99 -13.68 28.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.841 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.631 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 76.8 34.31 43.6 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.656 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.762 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.4 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.06 -0.972 . . . . 0.0 111.329 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 22.7 t . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.762 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.737 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 22.5 tpp180 -165.49 -61.11 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.859 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.546 ' HG2' ' HG3' ' A' ' 2' ' ' ARG . 38.2 ptt180 -175.29 30.02 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.656 0.265 . . . . 0.0 111.546 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.1 -55.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.655 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.705 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.0 mp0 -86.41 47.2 1.44 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.651 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.591 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.85 -45.75 16.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.591 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.5 mmp_? -108.41 -44.6 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.386 178.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.516 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.5 ptm -91.12 64.93 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.325 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.705 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 42.6 mtpt -70.9 58.74 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.182 -178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 21.3 ptmt -84.02 -48.56 9.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.469 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 45.6 tp -86.98 -14.16 42.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.521 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.613 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 75.89 31.6 55.39 Favored Glycine 0 N--CA 1.453 -0.175 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.188 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.737 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 10.1 p 43.77 69.48 0.4 Allowed 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.234 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 1 O-C-N 65.915 -35.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.4 t . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.811 0.338 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.63 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.8 ttm-85 -165.21 -62.71 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.581 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.03 32.75 0.01 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.89 0.376 . . . . 0.0 111.794 179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.555 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -174.62 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.793 179.472 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.689 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 14.0 mp0 -87.32 46.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.01 -44.6 17.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.577 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -110.56 -45.12 3.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.5 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.7 ptm -89.1 64.39 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.849 178.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.65 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 52.4 mttp -70.53 57.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.147 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -83.35 -46.95 11.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.885 0.374 . . . . 0.0 110.523 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 49.9 tp -90.4 -15.44 30.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.627 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.689 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.72 29.82 60.73 Favored Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.174 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.63 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.8 p 43.25 53.34 5.45 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.219 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 1 O-C-N 79.86 -26.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.2 t . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.724 0.297 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.697 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.7 ttt180 -164.08 -59.0 0.04 OUTLIER 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.593 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.527 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.0 ptt180 -175.37 29.04 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.08 -54.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.678 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.6 mp0 -86.57 51.48 2.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.638 0.256 . . . . 0.0 111.411 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.519 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.42 -43.77 14.34 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.519 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.79 -43.55 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 19.6 ptm -89.92 57.97 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.165 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.678 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 56.2 mtpt -67.71 62.09 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.322 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -86.75 -45.16 11.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.944 0.402 . . . . 0.0 110.155 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.6 tp -90.36 -11.98 39.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.637 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.531 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 72.64 35.1 59.32 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.006 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.697 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.7 p 41.94 70.0 0.32 Allowed 'General case' 0 C--O 1.249 1.062 0 CA-C-O 118.108 -0.949 . . . . 0.0 111.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.395 1 O-C-N 100.611 -13.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.1 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.661 0.267 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.831 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 79.4 ttt180 -165.86 -65.8 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.242 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.831 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.02 34.24 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.84 -49.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.506 179.43 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.7 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.0 mp0 -93.62 45.63 1.16 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.612 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -79.97 -45.63 18.12 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.46 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.612 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -106.8 -46.11 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.7 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 91.7 mtp -84.26 60.67 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.74 178.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 50.0 mtmt -70.45 50.62 0.12 Allowed 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -84.2 -47.55 10.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 110.267 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -85.2 -20.36 30.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.528 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.625 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 77.2 30.21 55.21 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.401 -179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.717 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.6 p 42.72 54.36 4.61 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.121 -0.942 . . . . 0.0 111.292 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 1 O-C-N 98.273 -15.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.1 t . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.705 0.288 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.659 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 80.1 ttt180 -162.8 -63.81 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.104 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.659 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.35 33.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.88 0.372 . . . . 0.0 111.847 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.585 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -173.72 -54.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.782 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.76 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 14.8 mp0 -88.7 51.97 2.31 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.552 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.49 -45.23 12.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.294 0.569 . . . . 0.0 109.507 178.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.552 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.53 -45.58 3.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.142 -0.936 . . . . 0.0 108.513 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.4 ptm -89.93 60.43 4.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.21 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.62 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 32.9 mtmm -66.99 66.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.232 -178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.8 pttm -84.15 -46.2 12.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 110.514 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 50.5 tp -95.5 -13.4 24.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.753 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.76 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 75.37 31.14 57.48 Favored Glycine 0 CA--C 1.518 0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.137 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.635 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 2.0 p 44.19 54.42 6.07 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 1 O-C-N 103.229 -12.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.3 t . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.767 0.317 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.724 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 41.0 ttt85 -166.13 -62.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.022 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.618 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.39 30.23 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 120.805 0.336 . . . . 0.0 111.702 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.552 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -173.49 -50.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.932 179.505 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.682 ' HG3' ' O ' ' A' ' 8' ' ' MET . 12.4 mp0 -90.5 39.26 0.97 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.593 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.05 -43.57 34.02 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.044 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.593 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -109.22 -44.69 3.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.053 177.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.682 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 62.8 mtm -84.5 61.35 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.54 -1.209 . . . . 0.0 109.562 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 45.6 mtmt -70.34 50.08 0.12 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.0 pttm -84.36 -47.22 10.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 0.0 110.33 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.421 ' HB3' ' CD ' ' A' ' 5' ' ' GLN . 53.1 tp -88.16 -17.4 31.01 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.681 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.653 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.61 28.4 65.46 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.214 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.724 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.6 p 43.37 58.82 3.25 Favored 'General case' 0 C--O 1.249 1.079 0 CA-C-O 118.061 -0.971 . . . . 0.0 111.249 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 1 O-C-N 73.552 -30.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 34.5 t . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.647 0.261 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.709 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 79.3 ttt180 -163.38 -60.92 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.514 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.582 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 36.9 ptt180 -175.44 30.45 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.099 -0.241 . . . . 0.0 111.623 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.19 -56.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.737 179.786 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.64 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 15.5 mp0 -86.28 52.59 2.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.671 0.272 . . . . 0.0 111.662 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.586 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -87.03 -46.05 10.18 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.586 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.2 mmp_? -109.41 -42.34 4.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -93.03 57.26 2.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.533 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.64 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.1 mtpp -64.49 67.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.256 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -87.82 -45.82 9.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.331 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.02 -9.09 34.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.871 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.551 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.69 33.26 58.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.777 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.709 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.2 p 45.12 72.04 0.23 Allowed 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.215 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 1 O-C-N 80.229 -26.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 24.1 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.674 0.273 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.707 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 42.6 ttt85 -163.16 -62.72 0.04 OUTLIER 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.601 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.547 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 37.8 ptt180 -175.66 30.96 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.647 0.26 . . . . 0.0 111.518 -179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.27 -55.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.679 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.634 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 16.7 mp0 -85.82 54.73 3.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.826 0.346 . . . . 0.0 111.299 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -37.12 16.1 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.7 mmm-85 -122.19 -41.7 2.41 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.0 ptt? -89.82 54.89 2.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.613 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.634 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 56.4 mtpt -66.45 63.63 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.505 -0.771 . . . . 0.0 112.734 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -87.23 -44.58 11.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.097 0.475 . . . . 0.0 109.937 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -89.11 -16.43 31.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.776 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.58 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 76.75 34.0 44.93 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.726 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.707 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.3 p 44.03 71.93 0.22 Allowed 'General case' 0 C--O 1.248 0.995 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.301 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 1 O-C-N 83.225 -24.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.695 0.283 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.7 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 34.8 tpt85 -162.52 -65.08 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.372 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' HG2' ' HG3' ' A' ' 2' ' ' ARG . 38.4 ptt180 -175.64 31.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.631 0.253 . . . . 0.0 111.441 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.48 -54.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.687 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.767 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.7 mp0 -89.75 51.44 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.604 0.24 . . . . 0.0 111.482 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.52 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.58 -44.26 14.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -110.98 -41.56 4.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 177.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.547 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 20.6 ptm -91.76 58.53 3.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.163 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.767 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 54.9 mtpt -67.49 60.4 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.558 -179.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -87.66 -46.24 9.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.936 0.398 . . . . 0.0 110.134 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 tp -88.83 -7.47 56.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.464 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.1 32.98 69.27 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.227 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.7 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 13.1 p 43.15 73.43 0.14 Allowed 'General case' 0 C--O 1.249 1.038 0 CA-C-O 118.098 -0.953 . . . . 0.0 111.293 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 1 O-C-N 100.803 -13.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.779 0.323 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.712 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 79.5 ttt180 -163.66 -62.46 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.712 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.98 31.48 0.01 OUTLIER 'General case' 0 C--O 1.233 0.187 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.576 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -174.68 -54.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.825 179.236 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.652 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 13.3 mp0 -87.1 49.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.787 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.66 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.76 -49.85 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.478 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.66 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.3 mmp_? -104.53 -46.93 4.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.315 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.485 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 20.8 ptt? -87.93 63.11 7.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.194 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.652 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 86.4 mttt -68.95 61.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.156 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -84.65 -48.29 9.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.592 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.5 tp -92.6 -4.85 52.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.641 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.527 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 66.33 31.28 78.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.238 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.5 p 43.24 47.75 5.56 Favored 'General case' 0 C--O 1.249 1.052 0 CA-C-O 118.074 -0.965 . . . . 0.0 111.211 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 1 O-C-N 80.717 -26.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.733 0.301 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.623 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 55.3 ttt-85 -164.48 -62.67 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.173 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 ppt_? -175.07 30.69 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.797 0.332 . . . . 0.0 111.76 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.546 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -172.96 -54.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.646 179.356 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.596 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 15.4 mp0 -87.74 48.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.667 0.27 . . . . 0.0 111.678 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.564 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.42 -44.07 18.02 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.598 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.564 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -112.13 -46.4 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.285 178.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.483 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 18.4 ptm -86.47 60.6 6.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.951 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.596 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 87.5 mttt -67.95 62.53 0.08 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.179 -178.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.1 pttt -86.18 -45.8 10.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.947 0.403 . . . . 0.0 110.514 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 46.0 tp -95.52 -7.93 36.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.748 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.537 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.11 32.78 69.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.114 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 9.1 p 44.97 68.46 0.56 Allowed 'General case' 0 C--O 1.248 1.023 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.218 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 1 O-C-N 72.974 -31.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 27.3 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.794 0.331 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.691 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.0 ttm-85 -163.65 -62.28 0.04 OUTLIER 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.229 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.651 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.74 31.71 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 179.808 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.542 ' NE1' ' HA ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -175.21 -52.79 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.867 179.045 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.642 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 15.3 mp0 -88.12 50.69 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.597 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.07 -47.92 9.71 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.613 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.597 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -108.09 -45.67 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.4 ptt? -89.88 60.93 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.158 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 46.7 mtmt -65.7 66.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.094 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -83.78 -49.17 9.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.988 0.423 . . . . 0.0 110.726 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.3 tp -96.82 -7.5 33.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.776 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.642 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 70.53 30.73 68.57 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.642 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.691 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.4 p 45.08 52.71 8.25 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.123 -0.942 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 1 O-C-N 100.233 -14.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 33.9 t . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.64 0.257 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.73 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 41.9 ttm180 -166.08 -57.76 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.81 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.8 ptt180 -175.46 28.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.18 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.708 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 13.5 mp0 -84.43 49.35 1.66 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.52 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.585 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -81.91 -45.31 15.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.361 0.6 . . . . 0.0 109.592 178.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.585 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.9 mmp_? -110.87 -37.16 5.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.518 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.582 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 22.4 ptt? -97.05 63.81 1.92 Allowed 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.81 178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.75 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -70.83 55.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.108 -178.635 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -83.9 -46.45 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.955 0.407 . . . . 0.0 110.223 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.4 tp -87.76 -13.61 41.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.516 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.536 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.84 31.31 60.35 Favored Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.252 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.73 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 11.3 p 42.68 67.1 0.65 Allowed 'General case' 0 C--O 1.248 1.004 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.272 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 1 O-C-N 75.665 -29.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 35.2 t . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.735 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 47.0 ttm-85 -163.46 -59.94 0.04 OUTLIER 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.594 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.492 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 39.1 ptt180 -175.56 29.25 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.77 -55.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.656 ' HB3' ' HA ' ' A' ' 9' ' ' LYS . 14.7 mp0 -85.61 52.02 2.35 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.612 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.594 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -85.26 -50.13 7.61 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 178.481 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.594 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 14.3 mmp_? -104.67 -43.13 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 23.3 ptt? -91.31 59.48 3.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.508 179.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.656 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.8 mtpp -68.29 62.56 0.09 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.386 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.6 pttm -86.72 -45.6 10.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.954 0.407 . . . . 0.0 110.126 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.4 tp -90.87 -11.66 38.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.64 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.523 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 73.01 33.44 59.62 Favored Glycine 0 N--CA 1.452 -0.267 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.812 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.735 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 8.7 p 44.41 71.77 0.24 Allowed 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.228 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.381 1 O-C-N 95.761 -16.837 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 19.8 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.783 0.325 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.773 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.6 ttt180 -165.63 -61.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.462 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.598 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 38.6 ptt180 -175.55 29.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.547 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.22 -51.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.762 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.696 ' HG3' ' O ' ' A' ' 8' ' ' MET . 14.9 mp0 -88.94 45.85 1.33 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.444 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -83.14 -35.77 25.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.238 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 28.8 mmm-85 -119.74 -41.16 2.7 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 177.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.696 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 90.1 mmm -88.06 56.95 4.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.626 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.592 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 26.1 mtpp -69.22 54.34 0.1 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 61.4 pttt -84.46 -46.38 11.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.016 0.436 . . . . 0.0 109.999 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 54.1 tp -86.61 -20.33 28.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.661 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.633 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 79.57 34.94 30.33 Favored Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.861 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.773 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 12.9 p 41.81 73.12 0.14 Allowed 'General case' 0 C--O 1.25 1.106 0 CA-C-O 117.999 -1.001 . . . . 0.0 111.289 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 1 O-C-N 71.695 -31.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.8 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.716 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 78.7 ttt180 -165.2 -62.09 0.03 OUTLIER 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.328 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.518 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 7.0 ppt_? -175.41 29.53 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.81 0.338 . . . . 0.0 111.728 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.571 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -171.87 -50.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.674 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.704 ' HG3' ' O ' ' A' ' 8' ' ' MET . 13.3 mp0 -92.64 43.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.623 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.08 -46.83 22.31 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.492 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.623 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.1 mmp_? -105.18 -46.09 4.33 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.381 177.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.704 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 67.3 mtm -84.09 62.59 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.0 178.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 51.7 mttp -70.77 49.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.8 pttt -84.02 -47.08 11.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.935 0.398 . . . . 0.0 110.276 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 40.0 tp -86.22 -17.58 34.41 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.544 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.577 ' N ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.74 31.2 58.66 Favored Glycine 0 CA--C 1.517 0.207 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.465 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 11.8 p 43.63 69.92 0.36 Allowed 'General case' 0 C--O 1.249 1.074 0 CA-C-O 118.171 -0.919 . . . . 0.0 111.258 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 1 O-C-N 97.819 -15.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.451 ' N ' ' HA ' ' A' ' 6' ' ' TRP . 3.0 t . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.533 ' HG2' ' HG2' ' A' ' 3' ' ' ARG . 41.4 ttt85 -139.4 -57.0 0.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.749 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.533 ' HG2' ' HG2' ' A' ' 2' ' ' ARG . 37.1 ptt180 -173.91 29.31 0.01 OUTLIER 'General case' 0 C--O 1.233 0.202 0 C-N-CA 120.661 -0.416 . . . . 0.0 112.015 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.565 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -175.25 -57.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.814 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 13.3 mp0 -87.35 50.45 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.525 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -84.9 -43.89 13.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.027 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.6 mmp_? -112.12 -44.6 3.4 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.479 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 17.8 ptp -89.56 63.55 6.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.735 -1.121 . . . . 0.0 110.272 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.628 ' HA ' ' HB3' ' A' ' 5' ' ' GLN . 44.2 mtmt -71.7 57.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.168 -178.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 25.2 pttm -83.42 -50.5 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.68 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 56.3 tp -80.61 -23.78 39.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.302 0.573 . . . . 0.0 110.131 179.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.814 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 86.47 35.39 10.6 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.065 -0.971 . . . . 0.0 113.021 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.604 ' H ' ' CG ' ' A' ' 5' ' ' GLN . 32.0 p 39.58 67.0 0.5 Allowed 'General case' 0 C--O 1.248 1.006 0 CA-C-O 118.035 -0.983 . . . . 0.0 111.656 178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 1 O-C-N 91.542 -19.474 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.6 t . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.739 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 42.3 ttt85 -165.77 -64.74 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.739 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.09 32.88 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.787 0.327 . . . . 0.0 111.675 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.554 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.31 -50.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.82 179.753 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.694 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 13.5 mp0 -93.07 44.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.656 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -78.97 -49.58 12.53 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.022 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.656 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 15.5 mmp_? -102.15 -47.93 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.338 177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.65 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 92.2 mmm -82.18 62.16 5.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.71 178.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 33.9 mtmm -71.59 50.32 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.277 -178.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.562 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -82.62 -47.75 11.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.968 0.413 . . . . 0.0 110.237 179.081 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 58.0 tp -86.33 -22.24 26.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.738 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.694 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 78.1 29.55 53.56 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.085 -179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.716 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.6 p 43.18 57.61 3.68 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-O 118.005 -0.998 . . . . 0.0 111.31 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 1 O-C-N 74.52 -30.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.748 0.309 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.735 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 45.9 ttm-85 -162.89 -66.27 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.172 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.735 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.11 33.22 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.87 0.367 . . . . 0.0 111.818 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.549 ' CD1' ' N ' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -174.06 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.545 179.398 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.622 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 15.2 mp0 -91.66 55.24 2.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.584 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -90.38 -45.42 9.02 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 178.607 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.584 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.3 mmp_? -108.55 -44.44 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.597 178.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.1 ptm -92.71 59.1 3.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.522 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 61.1 mtpt -67.13 66.35 0.07 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.259 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 62.2 pttt -85.77 -44.49 12.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.063 0.458 . . . . 0.0 110.234 179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 50.2 tp -94.26 -13.83 26.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.729 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.622 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 74.72 34.12 54.15 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.816 -179.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.708 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 5.0 p 42.63 59.0 2.93 Favored 'General case' 0 C--O 1.248 1.011 0 CA-C-O 118.039 -0.981 . . . . 0.0 111.249 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 1 O-C-N 67.767 -34.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.653 0.264 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.786 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 42.3 ttt85 -161.75 -67.43 0.06 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.181 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.786 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -174.99 31.68 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.874 0.369 . . . . 0.0 111.875 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.535 ' N ' ' CD1' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -172.65 -51.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.398 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.631 ' HG2' ' H ' ' A' ' 12' ' ' GLY . 16.1 mp0 -90.21 54.98 2.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.681 0.277 . . . . 0.0 111.335 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.553 ' HE3' ' H ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -88.36 -46.96 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.553 ' H ' ' HE3' ' A' ' 6' ' ' TRP . 4.8 mmp_? -109.02 -42.23 4.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.306 -0.861 . . . . 0.0 108.681 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -92.98 58.36 2.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 114.948 -1.023 . . . . 0.0 110.247 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 93.0 mttt -66.59 66.08 0.05 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.184 -179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 14.3 ptmm? -83.46 -47.64 11.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.39 179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 63.0 tp -92.99 -13.68 28.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.841 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.631 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 76.8 34.31 43.6 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.656 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.762 ' HB2' ' HB3' ' A' ' 2' ' ' ARG . 7.4 p 43.25 58.91 3.17 Favored 'General case' 0 C--O 1.248 1.02 0 CA-C-O 118.06 -0.972 . . . . 0.0 111.329 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 1 O-C-N 68.115 -34.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_