data_2m3f_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 2m3f _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 5' ' ' VAL . . . . . 0.471 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 76.0 t . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 38.7 ttmt -51.85 -34.21 39.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.517 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -60.26 -57.04 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.823 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.529 ' CE3' ' HD3' ' A' ' 12' ' ' ARG . 20.1 p-90 -73.06 -32.74 65.24 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.221 -178.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 14.1 mtm180 -55.51 -54.8 39.39 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.538 -177.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 12.6 pt-20 -71.01 -28.82 64.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.695 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 15' ' ' MET . 35.6 tt0 -60.22 -56.75 17.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.909 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.529 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 79.0 mtp180 -69.13 -29.44 67.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.773 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 31.9 tptt -58.8 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.93 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -65.62 -32.02 73.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.656 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 21.9 mmt -60.06 -47.73 84.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.071 -176.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -77.93 -32.19 51.46 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.592 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 121.284 0.564 . . . . 0.0 110.787 -179.265 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.687 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 70.5 t . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 58.2 mttp -52.61 -34.87 52.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.204 0.526 . . . . 0.0 109.818 174.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -60.48 -57.04 14.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.298 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.687 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.1 p-90 -71.97 -31.08 65.92 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.278 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -57.5 -52.69 64.35 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.886 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 11.8 pt-20 -74.17 -29.81 61.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.73 -56.05 21.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.219 178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.443 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 74.8 mtp180 -63.26 -28.47 70.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.555 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -55.37 -51.67 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.497 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -64.05 -38.76 92.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.718 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mmm -55.92 -50.39 70.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.517 -175.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -74.36 -31.34 62.37 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.541 -177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.0 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.218 0.532 . . . . 0.0 110.505 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.752 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 70.3 t . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 120.499 0.19 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -51.84 -37.33 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.049 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -62.5 -55.98 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.052 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.752 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.2 p-90 -72.74 -31.54 65.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.813 -175.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -59.05 -53.66 55.84 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.132 0.491 . . . . 0.0 110.646 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.67 -29.35 62.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 15' ' ' MET . 13.8 tp10 -63.07 -54.58 35.89 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.936 0.398 . . . . 0.0 109.939 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.562 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 76.1 mtp180 -64.37 -29.81 70.87 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.681 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -59.46 -50.68 72.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.268 0.556 . . . . 0.0 109.604 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -66.03 -29.35 69.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.763 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 90.8 mtp -60.67 -47.25 87.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.06 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.2 p-90 -78.04 -32.41 50.92 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.444 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.5 mt . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 121.307 0.575 . . . . 0.0 110.542 178.364 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.618 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 53.7 t . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.045 0.45 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -54.76 -33.33 61.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.492 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HZ2' ' HB2' ' A' ' 7' ' ' LYS . 4.7 ttmp? -64.8 -55.35 20.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.185 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.618 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 23.0 p-90 -72.2 -31.62 66.05 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.929 -176.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -53.55 -51.33 63.27 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.947 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 11.0 pt-20 -73.9 -29.47 62.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.686 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 15' ' ' MET . 40.8 tt0 -63.8 -56.45 15.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.41 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.615 ' HD2' ' CE3' ' A' ' 8' ' ' TRP . 99.7 mtt180 -64.81 -28.68 69.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.425 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HD2' ' HE1' ' A' ' 16' ' ' TRP . 16.2 tptm -61.26 -50.14 74.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.283 175.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 82.9 mttt -65.68 -32.28 73.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 90.7 mtp -55.92 -49.91 72.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.491 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.437 ' HE1' ' HD2' ' A' ' 13' ' ' LYS . 38.4 p-90 -78.55 -34.08 47.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.853 -177.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 121.215 0.531 . . . . 0.0 110.666 -179.029 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.617 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 90.3 t . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.45 -33.3 53.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.026 174.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.56 -57.19 9.83 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.1 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.617 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 17.8 p-90 -71.84 -31.53 66.61 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.322 -174.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 55.6 mtt180 -56.63 -51.78 67.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.069 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 12.1 pt-20 -73.78 -30.64 62.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.725 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 15' ' ' MET . 36.0 tt0 -62.25 -55.51 27.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.54 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.594 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 78.1 mtp180 -65.92 -29.14 69.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.417 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 16' ' ' TRP . 17.4 tptt -59.85 -49.53 77.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.709 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 34.4 mmtp -62.81 -32.01 73.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.552 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.508 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 88.8 mtp -60.92 -50.94 71.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.58 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.46 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 32.8 p-90 -77.82 -29.28 50.54 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.991 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 111.005 179.831 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.701 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 75.5 t . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.566 0.222 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -56.2 -33.6 65.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.451 0.643 . . . . 0.0 109.546 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -58.85 -56.44 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.205 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.701 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 30.0 p-90 -72.99 -30.6 63.93 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.594 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -58.68 -47.62 83.87 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.039 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 11.7 pt-20 -74.78 -30.05 61.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.409 177.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 15' ' ' MET . 37.9 tt0 -60.03 -54.71 42.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.527 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 67.4 mtp180 -63.18 -30.35 71.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.517 ' HA ' ' CD1' ' A' ' 16' ' ' TRP . 12.7 mptt -65.84 -46.84 77.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.46 175.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 93.7 mttt -58.74 -35.54 72.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 31.1 mmt -57.16 -51.32 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.517 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 44.1 p-90 -79.18 -30.82 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.339 -177.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 121.182 0.515 . . . . 0.0 110.518 -178.168 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.534 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 75.4 t . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.645 0.26 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -51.94 -34.14 40.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.395 173.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -63.03 -57.71 9.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.688 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.534 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 21.1 p-90 -72.93 -32.95 65.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.821 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -55.93 -55.12 36.46 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 123.281 0.363 . . . . 0.0 111.017 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.34 -29.88 65.52 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.644 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 15' ' ' MET . 6.6 tp10 -60.46 -55.06 38.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.044 0.45 . . . . 0.0 110.134 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 81.5 mtp180 -69.92 -30.11 67.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.9 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HD3' ' HE1' ' A' ' 16' ' ' TRP . 32.2 mmtt -58.89 -50.96 72.04 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.839 0.352 . . . . 0.0 110.784 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.56 -29.68 70.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.657 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.5 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 26.5 mmt -61.11 -51.45 69.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.548 ' HE1' ' HD3' ' A' ' 13' ' ' LYS . 48.9 p-90 -79.55 -31.95 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 111.291 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 121.296 0.57 . . . . 0.0 110.387 179.182 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.697 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 77.5 t . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.517 0.198 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -54.07 -34.03 59.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.091 0.472 . . . . 0.0 110.266 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -65.42 -55.19 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.033 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.697 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 25.5 p-90 -73.08 -31.78 64.58 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.727 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 67.3 mtt180 -55.47 -53.94 50.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -177.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.6 pt-20 -73.71 -30.22 62.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.601 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 15' ' ' MET . 35.9 tt0 -58.68 -51.67 68.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 110.325 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.538 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 70.7 mtp180 -66.65 -32.21 73.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.956 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.657 ' CD ' ' HE1' ' A' ' 16' ' ' TRP . 37.1 mmtm -64.72 -47.74 77.19 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.902 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 83.4 mttt -58.63 -34.86 71.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.431 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 26.2 mmt -58.74 -51.51 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.262 -177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.657 ' HE1' ' CD ' ' A' ' 13' ' ' LYS . 40.3 p-90 -79.32 -34.15 42.55 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.352 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.0 mt . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.209 0.528 . . . . 0.0 110.455 -179.094 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.737 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 91.6 t . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -51.92 -33.38 36.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.5 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -69.66 -54.14 15.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.18 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.737 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 20.1 p-90 -71.96 -30.81 65.67 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.417 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -53.44 -54.64 34.04 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.263 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 10.5 pt-20 -73.95 -29.68 62.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.858 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 15' ' ' MET . 32.5 tt0 -61.46 -56.59 18.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.573 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.589 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 81.0 mtp180 -66.97 -28.4 68.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.367 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -56.99 -45.2 83.14 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.91 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 45.3 mmtm -66.03 -35.89 81.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.975 0.417 . . . . 0.0 110.257 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 25.5 mmt -59.64 -50.08 75.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.256 -175.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -77.57 -31.5 53.17 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.014 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.18 0.514 . . . . 0.0 110.102 -179.59 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.637 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 74.5 t . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 120.473 0.178 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 39.0 ttmt -54.13 -33.86 58.9 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.15 0.5 . . . . 0.0 110.19 177.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmpt? -64.01 -53.33 51.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.449 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.637 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.9 p-90 -72.12 -32.0 66.55 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.113 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.0 mtp180 -58.99 -50.68 73.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.933 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 12.1 pt-20 -73.89 -30.13 62.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 15' ' ' MET . 40.1 tt0 -60.9 -56.32 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.15 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.511 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 66.5 mtp180 -66.14 -29.99 70.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.747 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 19.6 tptt -61.07 -45.52 94.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.9 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.43 -33.3 74.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.636 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 95.0 mmm -60.53 -47.43 86.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.469 -177.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.414 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 35.7 p-90 -74.41 -30.41 61.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.8 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.5 177.249 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.355 0.121 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.75 -37.76 85.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.688 0.28 . . . . 0.0 110.258 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.31 -36.14 77.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -67.29 -39.75 86.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.342 0.591 . . . . 0.0 110.143 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.471 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 76.0 t -74.35 -43.37 49.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.873 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 38.7 ttmt -51.85 -34.21 39.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.517 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -60.26 -57.04 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.823 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.529 ' CE3' ' HD3' ' A' ' 12' ' ' ARG . 20.1 p-90 -73.06 -32.74 65.24 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.221 -178.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 14.1 mtm180 -55.51 -54.8 39.39 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.538 -177.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 12.6 pt-20 -71.01 -28.82 64.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.695 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 15' ' ' MET . 35.6 tt0 -60.22 -56.75 17.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.909 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.529 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 79.0 mtp180 -69.13 -29.44 67.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.773 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 31.9 tptt -58.8 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.93 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -65.62 -32.02 73.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.656 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 21.9 mmt -60.06 -47.73 84.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.071 -176.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.503 ' O ' HG12 ' A' ' 20' ' ' ILE . 26.9 p-90 -77.93 -32.19 51.46 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.592 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.4 -43.06 91.78 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.284 0.564 . . . . 0.0 110.787 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.59 -28.52 62.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.239 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -67.62 -25.59 65.82 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.813 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 16' ' ' TRP . 45.9 mm -59.03 -31.66 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.212 0.53 . . . . 0.0 110.422 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.2 t -98.49 -4.78 33.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.977 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 119.18 -0.438 . . . . 0.0 110.253 -179.086 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.19 -30.41 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.986 0.422 . . . . 0.0 110.114 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.02 -34.73 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.409 174.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.545 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 24.8 m-20 -70.54 -28.8 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.08 0.467 . . . . 0.0 109.803 174.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.687 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 70.5 t -69.54 -50.36 51.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.115 174.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 58.2 mttp -52.61 -34.87 52.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.204 0.526 . . . . 0.0 109.818 174.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 38.0 ttmt -60.48 -57.04 14.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.298 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.687 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.1 p-90 -71.97 -31.08 65.92 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.278 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -57.5 -52.69 64.35 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.886 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 11.8 pt-20 -74.17 -29.81 61.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.73 -56.05 21.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.219 178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.443 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 74.8 mtp180 -63.26 -28.47 70.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.555 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -55.37 -51.67 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.497 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' O ' HD11 ' A' ' 18' ' ' LEU . 13.0 mptt -64.05 -38.76 92.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.718 175.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mmm -55.92 -50.39 70.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.517 -175.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.491 ' O ' HG12 ' A' ' 20' ' ' ILE . 32.2 p-90 -74.36 -31.34 62.37 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.541 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.7 -44.94 92.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.218 0.532 . . . . 0.0 110.505 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.482 HD11 ' O ' ' A' ' 14' ' ' LYS . 8.7 mp -69.43 -32.38 71.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.238 176.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.3 -19.85 62.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.238 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 16' ' ' TRP . 45.7 mm -54.96 -53.73 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.022 0.439 . . . . 0.0 110.163 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.0 t -78.47 -35.77 46.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.897 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.531 -179.628 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.663 -0.125 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 8.4 m-20 -65.76 -30.63 71.31 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.936 0.398 . . . . 0.0 109.955 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -38.54 90.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.627 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -63.74 -34.69 78.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.023 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.752 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 70.3 t -68.84 -51.2 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.783 177.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 2' ' ' ASP . 64.8 mttp -51.84 -37.33 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.049 176.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -62.5 -55.98 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.052 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.752 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.2 p-90 -72.74 -31.54 65.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.813 -175.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -59.05 -53.66 55.84 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.132 0.491 . . . . 0.0 110.646 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.67 -29.35 62.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 15' ' ' MET . 13.8 tp10 -63.07 -54.58 35.89 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.936 0.398 . . . . 0.0 109.939 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.562 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 76.1 mtp180 -64.37 -29.81 70.87 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.681 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -59.46 -50.68 72.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.268 0.556 . . . . 0.0 109.604 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' HD11 ' A' ' 18' ' ' LEU . 58.0 mtpt -66.03 -29.35 69.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.763 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 90.8 mtp -60.67 -47.25 87.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.06 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.402 ' CE3' HD13 ' A' ' 20' ' ' ILE . 35.2 p-90 -78.04 -32.41 50.92 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.444 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.88 -40.98 99.19 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.307 0.575 . . . . 0.0 110.542 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 14' ' ' LYS . 7.7 mp -76.63 -19.19 58.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.739 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 7.8 ttpp -98.03 20.26 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.402 HD13 ' CE3' ' A' ' 16' ' ' TRP . 36.1 mm -78.71 -38.63 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 174.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.7 t -74.64 -29.4 61.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.936 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.402 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 28.4 t-20 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.618 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.743 -0.095 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.88 -37.94 77.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.28 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.33 -42.64 96.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.796 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -65.35 -41.79 93.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.319 0.581 . . . . 0.0 110.329 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.618 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 53.7 t -65.71 -41.9 91.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.115 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -54.76 -33.33 61.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.492 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HZ2' ' HB2' ' A' ' 7' ' ' LYS . 4.7 ttmp? -64.8 -55.35 20.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.185 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.618 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 23.0 p-90 -72.2 -31.62 66.05 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.929 -176.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -53.55 -51.33 63.27 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.947 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 11.0 pt-20 -73.9 -29.47 62.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.686 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.563 ' O ' ' HG3' ' A' ' 15' ' ' MET . 40.8 tt0 -63.8 -56.45 15.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.41 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.615 ' HD2' ' CE3' ' A' ' 8' ' ' TRP . 99.7 mtt180 -64.81 -28.68 69.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.425 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HD2' ' HE1' ' A' ' 16' ' ' TRP . 16.2 tptm -61.26 -50.14 74.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.283 175.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 82.9 mttt -65.68 -32.28 73.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 90.7 mtp -55.92 -49.91 72.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.491 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.437 ' HE1' ' HD2' ' A' ' 13' ' ' LYS . 38.4 p-90 -78.55 -34.08 47.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.853 -177.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt -61.86 -52.63 63.36 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.215 0.531 . . . . 0.0 110.666 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.92 -26.98 63.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.067 -176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -70.81 -37.46 73.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.795 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.34 -37.31 79.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.973 0.416 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -76.34 -12.78 60.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.488 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.276 177.62 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 2' ' ' ASP . 12.2 m . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.401 ' N ' HG22 ' A' ' 1' ' ' THR . 5.2 m-20 -54.91 -42.55 72.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 111.03 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -59.55 -31.08 69.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.596 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 24.4 m-20 -69.51 -29.2 66.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.105 0.478 . . . . 0.0 110.223 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.617 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 90.3 t -67.7 -44.43 85.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.093 175.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.45 -33.3 53.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.026 174.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 96.9 mttt -64.56 -57.19 9.83 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.1 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.617 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 17.8 p-90 -71.84 -31.53 66.61 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.322 -174.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.422 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 55.6 mtt180 -56.63 -51.78 67.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.069 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 12.1 pt-20 -73.78 -30.64 62.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.725 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 15' ' ' MET . 36.0 tt0 -62.25 -55.51 27.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.54 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.594 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 78.1 mtp180 -65.92 -29.14 69.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.417 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 16' ' ' TRP . 17.4 tptt -59.85 -49.53 77.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.709 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 34.4 mmtp -62.81 -32.01 73.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.552 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.508 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 88.8 mtp -60.92 -50.94 71.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.58 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.46 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 32.8 p-90 -77.82 -29.28 50.54 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.991 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.503 ' O ' ' HB3' ' A' ' 21' ' ' SER . 28.9 mt -62.18 -33.98 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 111.005 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 14' ' ' LYS . 8.1 mp -82.44 -13.62 56.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.046 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 15' ' ' MET . 32.5 mmmt -98.59 -44.92 6.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.79 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 mt -94.07 -34.04 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.001 0.429 . . . . 0.0 111.459 -173.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.503 ' HB3' ' O ' ' A' ' 17' ' ' LEU . 25.0 t -95.01 0.7 54.84 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.803 -173.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.104 179.17 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.0 p . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.35 -39.83 92.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 109.88 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -58.61 -42.49 88.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.323 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.517 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 36.9 m-20 -68.89 -30.56 69.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.076 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.701 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 75.5 t -72.16 -49.73 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.528 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -56.2 -33.6 65.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.451 0.643 . . . . 0.0 109.546 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 39.4 ttmt -58.85 -56.44 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.205 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.701 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 30.0 p-90 -72.99 -30.6 63.93 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.594 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -58.68 -47.62 83.87 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.039 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 11.7 pt-20 -74.78 -30.05 61.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.409 177.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 15' ' ' MET . 37.9 tt0 -60.03 -54.71 42.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.527 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 67.4 mtp180 -63.18 -30.35 71.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.517 ' HA ' ' CD1' ' A' ' 16' ' ' TRP . 12.7 mptt -65.84 -46.84 77.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.46 175.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.519 ' O ' HD11 ' A' ' 18' ' ' LEU . 93.7 mttt -58.74 -35.54 72.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.489 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 31.1 mmt -57.16 -51.32 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.517 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 44.1 p-90 -79.18 -30.82 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.339 -177.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.9 mt -60.49 -42.96 97.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.182 0.515 . . . . 0.0 110.518 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.519 HD11 ' O ' ' A' ' 14' ' ' LYS . 9.8 mp -71.11 -26.89 63.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.932 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 15' ' ' MET . 67.1 mttm -84.93 -2.5 57.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.61 -176.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.4 mm -62.02 -35.63 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.125 0.488 . . . . 0.0 110.372 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -84.18 -6.99 59.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.388 -176.774 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.445 ' OD2' ' HE3' ' A' ' 6' ' ' LYS . 28.4 t70 -59.47 -39.71 84.56 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.81 -32.61 73.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 0.0 111.327 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.78 -34.6 77.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.267 0.556 . . . . 0.0 109.735 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.534 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 75.4 t -72.3 -41.64 65.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.381 176.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HE3' ' OD2' ' A' ' 2' ' ' ASP . 97.6 mttt -51.94 -34.14 40.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.395 173.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -63.03 -57.71 9.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.688 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.534 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 21.1 p-90 -72.93 -32.95 65.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.821 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -55.93 -55.12 36.46 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 123.281 0.363 . . . . 0.0 111.017 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.34 -29.88 65.52 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.644 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 15' ' ' MET . 6.6 tp10 -60.46 -55.06 38.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.044 0.45 . . . . 0.0 110.134 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 81.5 mtp180 -69.92 -30.11 67.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.9 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HD3' ' HE1' ' A' ' 16' ' ' TRP . 32.2 mmtt -58.89 -50.96 72.04 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.839 0.352 . . . . 0.0 110.784 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.56 -29.68 70.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.657 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.5 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 26.5 mmt -61.11 -51.45 69.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.548 ' HE1' ' HD3' ' A' ' 13' ' ' LYS . 48.9 p-90 -79.55 -31.95 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 111.291 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.23 -46.36 90.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.296 0.57 . . . . 0.0 110.387 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -72.41 -24.51 61.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.701 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -64.12 -44.53 91.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.93 0.395 . . . . 0.0 109.974 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.1 mt -74.66 -17.61 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.474 0.654 . . . . 0.0 110.236 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -74.42 -4.19 35.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.876 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.53 175.322 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.766 -0.087 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.17 -30.38 70.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.772 0.32 . . . . 0.0 110.359 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.9 -42.54 94.07 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.324 174.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.26 -35.21 80.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.962 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.697 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 77.5 t -66.89 -46.74 84.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.992 178.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -54.07 -34.03 59.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.091 0.472 . . . . 0.0 110.266 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -65.42 -55.19 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.033 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.697 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 25.5 p-90 -73.08 -31.78 64.58 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.727 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 67.3 mtt180 -55.47 -53.94 50.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -177.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.6 pt-20 -73.71 -30.22 62.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.601 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 15' ' ' MET . 35.9 tt0 -58.68 -51.67 68.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 110.325 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.538 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 70.7 mtp180 -66.65 -32.21 73.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.956 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.657 ' CD ' ' HE1' ' A' ' 16' ' ' TRP . 37.1 mmtm -64.72 -47.74 77.19 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.902 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 83.4 mttt -58.63 -34.86 71.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.431 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.508 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 26.2 mmt -58.74 -51.51 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.262 -177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.657 ' HE1' ' CD ' ' A' ' 13' ' ' LYS . 40.3 p-90 -79.32 -34.15 42.55 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.352 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.0 mt -60.25 -51.16 70.75 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.209 0.528 . . . . 0.0 110.455 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.39 -26.92 62.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.77 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -64.7 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 0.0 110.404 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 16' ' ' TRP . 65.3 mt -78.34 -40.61 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.964 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 p -73.33 -30.1 63.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.65 -176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.652 -0.689 . . . . 0.0 110.31 178.421 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.9 -41.78 75.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.944 0.338 . . . . 0.0 111.799 -175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -55.07 -36.44 65.62 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.71 -43.93 87.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.222 0.534 . . . . 0.0 109.91 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.737 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 91.6 t -67.72 -47.34 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.585 178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -51.92 -33.38 36.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.5 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -69.66 -54.14 15.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.18 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.737 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 20.1 p-90 -71.96 -30.81 65.67 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.417 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -53.44 -54.64 34.04 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.263 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 10.5 pt-20 -73.95 -29.68 62.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.858 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 15' ' ' MET . 32.5 tt0 -61.46 -56.59 18.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.573 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.589 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 81.0 mtp180 -66.97 -28.4 68.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.367 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -56.99 -45.2 83.14 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.91 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 45.3 mmtm -66.03 -35.89 81.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.975 0.417 . . . . 0.0 110.257 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.495 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 25.5 mmt -59.64 -50.08 75.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.256 -175.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -77.57 -31.5 53.17 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.014 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.3 -49.46 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.18 0.514 . . . . 0.0 110.102 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.32 -24.96 61.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.667 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -66.77 -25.31 66.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.147 0.499 . . . . 0.0 110.572 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.0 mt -90.51 -37.52 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.0 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.3 p -81.63 -32.49 31.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.466 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.441 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.595 -178.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.485 HG22 ' H ' ' A' ' 2' ' ' ASP . 1.4 m . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.485 ' H ' HG22 ' A' ' 1' ' ' THR . 26.6 t70 -55.4 -37.29 67.42 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 117.753 0.252 . . . . 0.0 111.263 179.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -54.85 -38.53 67.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.189 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.61 -45.16 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.18 0.514 . . . . 0.0 110.5 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.637 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 74.5 t -68.55 -48.24 73.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.203 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 39.0 ttmt -54.13 -33.86 58.9 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.15 0.5 . . . . 0.0 110.19 177.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmpt? -64.01 -53.33 51.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.449 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.637 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.9 p-90 -72.12 -32.0 66.55 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.113 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.0 mtp180 -58.99 -50.68 73.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.933 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 12.1 pt-20 -73.89 -30.13 62.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 15' ' ' MET . 40.1 tt0 -60.9 -56.32 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.15 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.511 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 66.5 mtp180 -66.14 -29.99 70.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.747 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 19.6 tptt -61.07 -45.52 94.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.9 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.76 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 14.6 mmmm -67.43 -33.3 74.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.636 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 95.0 mmm -60.53 -47.43 86.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.469 -177.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.414 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 35.7 p-90 -74.41 -30.41 61.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.8 mt -61.33 -40.41 94.13 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.5 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.76 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 22.0 mt -67.84 -40.02 83.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.921 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.71 -43.9 97.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.359 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mt -79.38 -17.76 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.178 0.513 . . . . 0.0 110.82 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -85.13 -5.05 59.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.461 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.463 -0.78 . . . . 0.0 110.445 179.56 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.481 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 76.0 t . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 38.7 ttmt -51.85 -34.21 39.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.517 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -60.26 -57.04 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.823 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CE3' ' HD3' ' A' ' 12' ' ' ARG . 20.1 p-90 -73.06 -32.74 65.24 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.221 -178.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 14.1 mtm180 -55.51 -54.8 39.39 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.538 -177.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 12.6 pt-20 -71.01 -28.82 64.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.695 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.662 ' O ' ' HG2' ' A' ' 15' ' ' MET . 35.6 tt0 -60.22 -56.75 17.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.909 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 79.0 mtp180 -69.13 -29.44 67.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.773 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 31.9 tptt -58.8 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.93 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -65.62 -32.02 73.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.662 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 21.9 mmt -60.06 -47.73 84.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.071 -176.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -77.93 -32.19 51.46 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.592 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 121.284 0.564 . . . . 0.0 110.787 -179.265 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.688 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 70.5 t . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 58.2 mttp -52.61 -34.87 52.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.204 0.526 . . . . 0.0 109.818 174.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -60.48 -57.04 14.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.298 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.688 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.1 p-90 -71.97 -31.08 65.92 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.278 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -57.5 -52.69 64.35 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.886 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 11.8 pt-20 -74.17 -29.81 61.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.73 -56.05 21.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.219 178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 74.8 mtp180 -63.26 -28.47 70.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.555 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -55.37 -51.67 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.497 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -64.05 -38.76 92.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.718 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mmm -55.92 -50.39 70.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.517 -175.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -74.36 -31.34 62.37 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.541 -177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.0 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.218 0.532 . . . . 0.0 110.505 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.764 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 70.3 t . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 120.499 0.19 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -51.84 -37.33 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.049 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -62.5 -55.98 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.052 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.764 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.2 p-90 -72.74 -31.54 65.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.813 -175.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -59.05 -53.66 55.84 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.132 0.491 . . . . 0.0 110.646 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.67 -29.35 62.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 15' ' ' MET . 13.8 tp10 -63.07 -54.58 35.89 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.936 0.398 . . . . 0.0 109.939 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.575 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 76.1 mtp180 -64.37 -29.81 70.87 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.681 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -59.46 -50.68 72.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.268 0.556 . . . . 0.0 109.604 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -66.03 -29.35 69.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.763 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.537 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 90.8 mtp -60.67 -47.25 87.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.06 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.2 p-90 -78.04 -32.41 50.92 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.444 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.5 mt . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 121.307 0.575 . . . . 0.0 110.542 178.364 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.632 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 53.7 t . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.045 0.45 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -54.76 -33.33 61.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.492 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -64.8 -55.35 20.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.185 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 23.0 p-90 -72.2 -31.62 66.05 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.929 -176.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.2 mtt180 -53.55 -51.33 63.27 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.947 -177.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 11.0 pt-20 -73.9 -29.47 62.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.686 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 15' ' ' MET . 40.8 tt0 -63.8 -56.45 15.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.41 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.612 ' HD2' ' CE3' ' A' ' 8' ' ' TRP . 99.7 mtt180 -64.81 -28.68 69.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.425 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HD2' ' HE1' ' A' ' 16' ' ' TRP . 16.2 tptm -61.26 -50.14 74.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.283 175.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 82.9 mttt -65.68 -32.28 73.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 90.7 mtp -55.92 -49.91 72.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.491 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.463 ' HE1' ' HD2' ' A' ' 13' ' ' LYS . 38.4 p-90 -78.55 -34.08 47.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.853 -177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 121.215 0.531 . . . . 0.0 110.666 -179.029 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.619 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 90.3 t . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.45 -33.3 53.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.026 174.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.56 -57.19 9.83 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.1 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 17.8 p-90 -71.84 -31.53 66.61 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.322 -174.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 55.6 mtt180 -56.63 -51.78 67.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.069 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 12.1 pt-20 -73.78 -30.64 62.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.725 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 15' ' ' MET . 36.0 tt0 -62.25 -55.51 27.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.54 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.603 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 78.1 mtp180 -65.92 -29.14 69.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.417 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 16' ' ' TRP . 17.4 tptt -59.85 -49.53 77.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.709 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 34.4 mmtp -62.81 -32.01 73.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.552 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 88.8 mtp -60.92 -50.94 71.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.58 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.459 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 32.8 p-90 -77.82 -29.28 50.54 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.991 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 111.005 179.831 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.699 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 75.5 t . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.566 0.222 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -56.2 -33.6 65.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.451 0.643 . . . . 0.0 109.546 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -58.85 -56.44 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.205 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.699 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 30.0 p-90 -72.99 -30.6 63.93 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.594 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -58.68 -47.62 83.87 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.039 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 11.7 pt-20 -74.78 -30.05 61.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.409 177.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' MET . 37.9 tt0 -60.03 -54.71 42.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 67.4 mtp180 -63.18 -30.35 71.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HA ' ' CD1' ' A' ' 16' ' ' TRP . 12.7 mptt -65.84 -46.84 77.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.46 175.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 93.7 mttt -58.74 -35.54 72.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 31.1 mmt -57.16 -51.32 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 44.1 p-90 -79.18 -30.82 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.339 -177.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 121.182 0.515 . . . . 0.0 110.518 -178.168 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.541 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 75.4 t . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.645 0.26 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -51.94 -34.14 40.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.395 173.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -63.03 -57.71 9.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.688 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 21.1 p-90 -72.93 -32.95 65.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.821 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -55.93 -55.12 36.46 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 123.281 0.363 . . . . 0.0 111.017 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.34 -29.88 65.52 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.644 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 15' ' ' MET . 6.6 tp10 -60.46 -55.06 38.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.044 0.45 . . . . 0.0 110.134 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.458 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 81.5 mtp180 -69.92 -30.11 67.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.9 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.561 ' HD3' ' HE1' ' A' ' 16' ' ' TRP . 32.2 mmtt -58.89 -50.96 72.04 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.839 0.352 . . . . 0.0 110.784 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.56 -29.68 70.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.657 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 26.5 mmt -61.11 -51.45 69.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.561 ' HE1' ' HD3' ' A' ' 13' ' ' LYS . 48.9 p-90 -79.55 -31.95 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 111.291 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 121.296 0.57 . . . . 0.0 110.387 179.182 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.707 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 77.5 t . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.517 0.198 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -54.07 -34.03 59.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.091 0.472 . . . . 0.0 110.266 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -65.42 -55.19 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.033 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.707 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 25.5 p-90 -73.08 -31.78 64.58 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.727 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 67.3 mtt180 -55.47 -53.94 50.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -177.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.6 pt-20 -73.71 -30.22 62.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.601 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 15' ' ' MET . 35.9 tt0 -58.68 -51.67 68.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 110.325 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.551 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 70.7 mtp180 -66.65 -32.21 73.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.956 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.699 ' CD ' ' HE1' ' A' ' 16' ' ' TRP . 37.1 mmtm -64.72 -47.74 77.19 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.902 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 83.4 mttt -58.63 -34.86 71.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.431 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 26.2 mmt -58.74 -51.51 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.262 -177.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.699 ' HE1' ' CD ' ' A' ' 13' ' ' LYS . 40.3 p-90 -79.32 -34.15 42.55 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.352 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.0 mt . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.209 0.528 . . . . 0.0 110.455 -179.094 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.746 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 91.6 t . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -51.92 -33.38 36.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.5 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -69.66 -54.14 15.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.18 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.746 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 20.1 p-90 -71.96 -30.81 65.67 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.417 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -53.44 -54.64 34.04 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.263 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 10.5 pt-20 -73.95 -29.68 62.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.858 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 15' ' ' MET . 32.5 tt0 -61.46 -56.59 18.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.573 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.602 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 81.0 mtp180 -66.97 -28.4 68.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.367 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -56.99 -45.2 83.14 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.91 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 45.3 mmtm -66.03 -35.89 81.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.975 0.417 . . . . 0.0 110.257 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 25.5 mmt -59.64 -50.08 75.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.256 -175.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -77.57 -31.5 53.17 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.014 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.18 0.514 . . . . 0.0 110.102 -179.59 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.643 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 74.5 t . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 120.473 0.178 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 39.0 ttmt -54.13 -33.86 58.9 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.15 0.5 . . . . 0.0 110.19 177.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmpt? -64.01 -53.33 51.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.449 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.643 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.9 p-90 -72.12 -32.0 66.55 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.113 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.0 mtp180 -58.99 -50.68 73.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.933 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 12.1 pt-20 -73.89 -30.13 62.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 15' ' ' MET . 40.1 tt0 -60.9 -56.32 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.15 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.526 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 66.5 mtp180 -66.14 -29.99 70.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.747 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 19.6 tptt -61.07 -45.52 94.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.9 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.43 -33.3 74.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.636 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.571 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 95.0 mmm -60.53 -47.43 86.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.469 -177.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.416 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 35.7 p-90 -74.41 -30.41 61.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.8 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.5 177.249 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.355 0.121 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.75 -37.76 85.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.688 0.28 . . . . 0.0 110.258 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.31 -36.14 77.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -67.29 -39.75 86.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.342 0.591 . . . . 0.0 110.143 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.481 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 76.0 t -74.35 -43.37 49.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.873 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 38.7 ttmt -51.85 -34.21 39.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.517 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -60.26 -57.04 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.823 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CE3' ' HD3' ' A' ' 12' ' ' ARG . 20.1 p-90 -73.06 -32.74 65.24 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.221 -178.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 14.1 mtm180 -55.51 -54.8 39.39 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.538 -177.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 12.6 pt-20 -71.01 -28.82 64.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.695 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.662 ' O ' ' HG2' ' A' ' 15' ' ' MET . 35.6 tt0 -60.22 -56.75 17.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.909 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 79.0 mtp180 -69.13 -29.44 67.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.773 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 31.9 tptt -58.8 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.93 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -65.62 -32.02 73.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.662 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 21.9 mmt -60.06 -47.73 84.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.071 -176.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.5 ' O ' HG12 ' A' ' 20' ' ' ILE . 26.9 p-90 -77.93 -32.19 51.46 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.592 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.4 -43.06 91.78 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.284 0.564 . . . . 0.0 110.787 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.59 -28.52 62.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.239 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 47.3 tptt -67.62 -25.59 65.82 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.813 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 16' ' ' TRP . 45.9 mm -59.03 -31.66 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.212 0.53 . . . . 0.0 110.422 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.2 t -98.49 -4.78 33.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.977 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 119.18 -0.438 . . . . 0.0 110.253 -179.086 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.19 -30.41 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.986 0.422 . . . . 0.0 110.114 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.02 -34.73 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.409 174.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 24.8 m-20 -70.54 -28.8 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.08 0.467 . . . . 0.0 109.803 174.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.688 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 70.5 t -69.54 -50.36 51.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.115 174.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 58.2 mttp -52.61 -34.87 52.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.204 0.526 . . . . 0.0 109.818 174.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.558 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 38.0 ttmt -60.48 -57.04 14.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.298 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.688 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.1 p-90 -71.97 -31.08 65.92 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.278 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -57.5 -52.69 64.35 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.886 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 11.8 pt-20 -74.17 -29.81 61.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.73 -56.05 21.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.219 178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 74.8 mtp180 -63.26 -28.47 70.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.555 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -55.37 -51.67 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.497 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' HD13 ' A' ' 18' ' ' LEU . 13.0 mptt -64.05 -38.76 92.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.718 175.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mmm -55.92 -50.39 70.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.517 -175.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.489 ' O ' HG12 ' A' ' 20' ' ' ILE . 32.2 p-90 -74.36 -31.34 62.37 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.541 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.7 -44.94 92.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.218 0.532 . . . . 0.0 110.505 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 14' ' ' LYS . 8.7 mp -69.43 -32.38 71.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.238 176.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.3 -19.85 62.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.238 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 16' ' ' TRP . 45.7 mm -54.96 -53.73 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.022 0.439 . . . . 0.0 110.163 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.0 t -78.47 -35.77 46.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.897 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.531 -179.628 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.663 -0.125 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 8.4 m-20 -65.76 -30.63 71.31 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.936 0.398 . . . . 0.0 109.955 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -38.54 90.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.627 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -63.74 -34.69 78.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.023 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.764 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 70.3 t -68.84 -51.2 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.783 177.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 2' ' ' ASP . 64.8 mttp -51.84 -37.33 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.049 176.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -62.5 -55.98 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.052 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.764 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.2 p-90 -72.74 -31.54 65.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.813 -175.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -59.05 -53.66 55.84 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.132 0.491 . . . . 0.0 110.646 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.67 -29.35 62.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 15' ' ' MET . 13.8 tp10 -63.07 -54.58 35.89 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.936 0.398 . . . . 0.0 109.939 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.575 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 76.1 mtp180 -64.37 -29.81 70.87 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.681 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -59.46 -50.68 72.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.268 0.556 . . . . 0.0 109.604 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' HD13 ' A' ' 18' ' ' LEU . 58.0 mtpt -66.03 -29.35 69.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.763 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.537 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 90.8 mtp -60.67 -47.25 87.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.06 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.456 ' CE3' HD11 ' A' ' 20' ' ' ILE . 35.2 p-90 -78.04 -32.41 50.92 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.444 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.88 -40.98 99.19 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.307 0.575 . . . . 0.0 110.542 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 14' ' ' LYS . 7.7 mp -76.63 -19.19 58.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.739 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 7.8 ttpp -98.03 20.26 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.456 HD11 ' CE3' ' A' ' 16' ' ' TRP . 36.1 mm -78.71 -38.63 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 174.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.7 t -74.64 -29.4 61.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.936 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 28.4 t-20 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.618 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.743 -0.095 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.88 -37.94 77.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.28 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.33 -42.64 96.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.796 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -65.35 -41.79 93.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.319 0.581 . . . . 0.0 110.329 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.632 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 53.7 t -65.71 -41.9 91.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.115 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -54.76 -33.33 61.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.492 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -64.8 -55.35 20.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.185 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 23.0 p-90 -72.2 -31.62 66.05 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.929 -176.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.2 mtt180 -53.55 -51.33 63.27 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.947 -177.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 11.0 pt-20 -73.9 -29.47 62.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.686 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 15' ' ' MET . 40.8 tt0 -63.8 -56.45 15.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.41 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.612 ' HD2' ' CE3' ' A' ' 8' ' ' TRP . 99.7 mtt180 -64.81 -28.68 69.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.425 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HD2' ' HE1' ' A' ' 16' ' ' TRP . 16.2 tptm -61.26 -50.14 74.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.283 175.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 82.9 mttt -65.68 -32.28 73.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 90.7 mtp -55.92 -49.91 72.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.491 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.463 ' HE1' ' HD2' ' A' ' 13' ' ' LYS . 38.4 p-90 -78.55 -34.08 47.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.853 -177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt -61.86 -52.63 63.36 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.215 0.531 . . . . 0.0 110.666 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.92 -26.98 63.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.067 -176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -70.81 -37.46 73.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.795 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.34 -37.31 79.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.973 0.416 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -76.34 -12.78 60.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.488 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.276 177.62 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 2' ' ' ASP . 12.2 m . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' N ' HG22 ' A' ' 1' ' ' THR . 5.2 m-20 -54.91 -42.55 72.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 111.03 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -59.55 -31.08 69.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.596 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 24.4 m-20 -69.51 -29.2 66.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.105 0.478 . . . . 0.0 110.223 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.619 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 90.3 t -67.7 -44.43 85.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.093 175.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.45 -33.3 53.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.026 174.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 96.9 mttt -64.56 -57.19 9.83 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.1 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 17.8 p-90 -71.84 -31.53 66.61 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.322 -174.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 55.6 mtt180 -56.63 -51.78 67.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.069 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 12.1 pt-20 -73.78 -30.64 62.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.725 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 15' ' ' MET . 36.0 tt0 -62.25 -55.51 27.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.54 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.603 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 78.1 mtp180 -65.92 -29.14 69.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.417 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 16' ' ' TRP . 17.4 tptt -59.85 -49.53 77.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.709 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 34.4 mmtp -62.81 -32.01 73.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.552 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.523 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 88.8 mtp -60.92 -50.94 71.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.58 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.459 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 32.8 p-90 -77.82 -29.28 50.54 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.991 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.516 ' O ' ' HB3' ' A' ' 21' ' ' SER . 28.9 mt -62.18 -33.98 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 111.005 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 14' ' ' LYS . 8.1 mp -82.44 -13.62 56.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.046 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 15' ' ' MET . 32.5 mmmt -98.59 -44.92 6.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.79 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 mt -94.07 -34.04 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.001 0.429 . . . . 0.0 111.459 -173.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' LEU . 25.0 t -95.01 0.7 54.84 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.803 -173.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.104 179.17 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.0 p . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.35 -39.83 92.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 109.88 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -58.61 -42.49 88.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.323 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 36.9 m-20 -68.89 -30.56 69.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.076 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.699 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 75.5 t -72.16 -49.73 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.528 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -56.2 -33.6 65.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.451 0.643 . . . . 0.0 109.546 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 39.4 ttmt -58.85 -56.44 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.205 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.699 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 30.0 p-90 -72.99 -30.6 63.93 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.594 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -58.68 -47.62 83.87 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.039 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 11.7 pt-20 -74.78 -30.05 61.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.409 177.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' MET . 37.9 tt0 -60.03 -54.71 42.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 67.4 mtp180 -63.18 -30.35 71.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HA ' ' CD1' ' A' ' 16' ' ' TRP . 12.7 mptt -65.84 -46.84 77.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.46 175.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.539 ' O ' HD13 ' A' ' 18' ' ' LEU . 93.7 mttt -58.74 -35.54 72.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 31.1 mmt -57.16 -51.32 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 44.1 p-90 -79.18 -30.82 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.339 -177.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.9 mt -60.49 -42.96 97.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.182 0.515 . . . . 0.0 110.518 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 14' ' ' LYS . 9.8 mp -71.11 -26.89 63.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.932 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 15' ' ' MET . 67.1 mttm -84.93 -2.5 57.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.61 -176.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.4 mm -62.02 -35.63 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.125 0.488 . . . . 0.0 110.372 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -84.18 -6.99 59.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.388 -176.774 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.454 ' OD2' ' HE3' ' A' ' 6' ' ' LYS . 28.4 t70 -59.47 -39.71 84.56 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.81 -32.61 73.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 0.0 111.327 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.78 -34.6 77.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.267 0.556 . . . . 0.0 109.735 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.541 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 75.4 t -72.3 -41.64 65.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.381 176.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.454 ' HE3' ' OD2' ' A' ' 2' ' ' ASP . 97.6 mttt -51.94 -34.14 40.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.395 173.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -63.03 -57.71 9.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.688 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 21.1 p-90 -72.93 -32.95 65.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.821 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -55.93 -55.12 36.46 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 123.281 0.363 . . . . 0.0 111.017 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.34 -29.88 65.52 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.644 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 15' ' ' MET . 6.6 tp10 -60.46 -55.06 38.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.044 0.45 . . . . 0.0 110.134 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 81.5 mtp180 -69.92 -30.11 67.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.9 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.561 ' HD3' ' HE1' ' A' ' 16' ' ' TRP . 32.2 mmtt -58.89 -50.96 72.04 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.839 0.352 . . . . 0.0 110.784 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.56 -29.68 70.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.657 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 26.5 mmt -61.11 -51.45 69.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.561 ' HE1' ' HD3' ' A' ' 13' ' ' LYS . 48.9 p-90 -79.55 -31.95 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 111.291 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.23 -46.36 90.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.296 0.57 . . . . 0.0 110.387 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -72.41 -24.51 61.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.701 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -64.12 -44.53 91.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.93 0.395 . . . . 0.0 109.974 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.1 mt -74.66 -17.61 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.474 0.654 . . . . 0.0 110.236 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -74.42 -4.19 35.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.876 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.53 175.322 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.766 -0.087 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.17 -30.38 70.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.772 0.32 . . . . 0.0 110.359 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.9 -42.54 94.07 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.324 174.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.26 -35.21 80.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.962 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.707 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 77.5 t -66.89 -46.74 84.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.992 178.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -54.07 -34.03 59.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.091 0.472 . . . . 0.0 110.266 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -65.42 -55.19 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.033 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.707 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 25.5 p-90 -73.08 -31.78 64.58 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.727 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 67.3 mtt180 -55.47 -53.94 50.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -177.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.6 pt-20 -73.71 -30.22 62.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.601 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 15' ' ' MET . 35.9 tt0 -58.68 -51.67 68.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 110.325 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.551 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 70.7 mtp180 -66.65 -32.21 73.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.956 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.699 ' CD ' ' HE1' ' A' ' 16' ' ' TRP . 37.1 mmtm -64.72 -47.74 77.19 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.902 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 83.4 mttt -58.63 -34.86 71.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.431 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 26.2 mmt -58.74 -51.51 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.262 -177.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.699 ' HE1' ' CD ' ' A' ' 13' ' ' LYS . 40.3 p-90 -79.32 -34.15 42.55 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.352 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.0 mt -60.25 -51.16 70.75 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.209 0.528 . . . . 0.0 110.455 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.39 -26.92 62.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.77 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -64.7 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 0.0 110.404 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 16' ' ' TRP . 65.3 mt -78.34 -40.61 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.964 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 p -73.33 -30.1 63.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.65 -176.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.652 -0.689 . . . . 0.0 110.31 178.421 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.9 -41.78 75.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.944 0.338 . . . . 0.0 111.799 -175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -55.07 -36.44 65.62 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.71 -43.93 87.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.222 0.534 . . . . 0.0 109.91 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.746 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 91.6 t -67.72 -47.34 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.585 178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -51.92 -33.38 36.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.5 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -69.66 -54.14 15.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.18 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.746 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 20.1 p-90 -71.96 -30.81 65.67 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.417 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -53.44 -54.64 34.04 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.263 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 10.5 pt-20 -73.95 -29.68 62.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.858 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 15' ' ' MET . 32.5 tt0 -61.46 -56.59 18.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.573 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.602 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 81.0 mtp180 -66.97 -28.4 68.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.367 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -56.99 -45.2 83.14 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.91 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 45.3 mmtm -66.03 -35.89 81.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.975 0.417 . . . . 0.0 110.257 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 25.5 mmt -59.64 -50.08 75.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.256 -175.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -77.57 -31.5 53.17 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.014 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.3 -49.46 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.18 0.514 . . . . 0.0 110.102 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.32 -24.96 61.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.667 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -66.77 -25.31 66.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.147 0.499 . . . . 0.0 110.572 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.0 mt -90.51 -37.52 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.0 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.3 p -81.63 -32.49 31.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.466 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.595 -178.533 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 2' ' ' ASP . 1.4 m . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.558 ' H ' HG22 ' A' ' 1' ' ' THR . 26.6 t70 -55.4 -37.29 67.42 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 117.753 0.252 . . . . 0.0 111.263 179.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -54.85 -38.53 67.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.189 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.61 -45.16 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.18 0.514 . . . . 0.0 110.5 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.643 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 74.5 t -68.55 -48.24 73.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.203 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 39.0 ttmt -54.13 -33.86 58.9 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.15 0.5 . . . . 0.0 110.19 177.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmpt? -64.01 -53.33 51.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.449 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.643 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.9 p-90 -72.12 -32.0 66.55 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.113 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.0 mtp180 -58.99 -50.68 73.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.933 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 12.1 pt-20 -73.89 -30.13 62.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 15' ' ' MET . 40.1 tt0 -60.9 -56.32 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.15 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.526 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 66.5 mtp180 -66.14 -29.99 70.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.747 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 19.6 tptt -61.07 -45.52 94.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.9 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.772 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 14.6 mmmm -67.43 -33.3 74.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.636 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.571 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 95.0 mmm -60.53 -47.43 86.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.469 -177.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.416 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 35.7 p-90 -74.41 -30.41 61.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.8 mt -61.33 -40.41 94.13 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.5 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.772 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 22.0 mt -67.84 -40.02 83.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.921 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.71 -43.9 97.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.359 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mt -79.38 -17.76 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.178 0.513 . . . . 0.0 110.82 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -85.13 -5.05 59.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.461 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.463 -0.78 . . . . 0.0 110.445 179.56 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.481 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 76.0 t . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.917 0.389 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 38.7 ttmt -51.85 -34.21 39.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.517 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -60.26 -57.04 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.823 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CE3' ' HD3' ' A' ' 12' ' ' ARG . 20.1 p-90 -73.06 -32.74 65.24 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.221 -178.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 14.1 mtm180 -55.51 -54.8 39.39 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.538 -177.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 12.6 pt-20 -71.01 -28.82 64.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.695 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.662 ' O ' ' HG2' ' A' ' 15' ' ' MET . 35.6 tt0 -60.22 -56.75 17.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.909 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 79.0 mtp180 -69.13 -29.44 67.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.773 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 31.9 tptt -58.8 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.93 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -65.62 -32.02 73.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.662 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 21.9 mmt -60.06 -47.73 84.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.071 -176.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.9 p-90 -77.93 -32.19 51.46 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.592 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 121.284 0.564 . . . . 0.0 110.787 -179.265 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.688 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 70.5 t . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 58.2 mttp -52.61 -34.87 52.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.204 0.526 . . . . 0.0 109.818 174.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -60.48 -57.04 14.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.298 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.688 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.1 p-90 -71.97 -31.08 65.92 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.278 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -57.5 -52.69 64.35 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.886 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 11.8 pt-20 -74.17 -29.81 61.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.73 -56.05 21.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.219 178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 74.8 mtp180 -63.26 -28.47 70.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.555 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -55.37 -51.67 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.497 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -64.05 -38.76 92.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.718 175.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mmm -55.92 -50.39 70.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.517 -175.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -74.36 -31.34 62.37 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.541 -177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.0 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.218 0.532 . . . . 0.0 110.505 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.764 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 70.3 t . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 120.499 0.19 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -51.84 -37.33 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.049 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -62.5 -55.98 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.052 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.764 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.2 p-90 -72.74 -31.54 65.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.813 -175.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -59.05 -53.66 55.84 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.132 0.491 . . . . 0.0 110.646 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.67 -29.35 62.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 15' ' ' MET . 13.8 tp10 -63.07 -54.58 35.89 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.936 0.398 . . . . 0.0 109.939 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.575 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 76.1 mtp180 -64.37 -29.81 70.87 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.681 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -59.46 -50.68 72.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.268 0.556 . . . . 0.0 109.604 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -66.03 -29.35 69.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.763 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.537 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 90.8 mtp -60.67 -47.25 87.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.06 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 35.2 p-90 -78.04 -32.41 50.92 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.444 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.5 mt . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 121.307 0.575 . . . . 0.0 110.542 178.364 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.632 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 53.7 t . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.045 0.45 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -54.76 -33.33 61.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.492 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -64.8 -55.35 20.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.185 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 23.0 p-90 -72.2 -31.62 66.05 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.929 -176.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.2 mtt180 -53.55 -51.33 63.27 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.947 -177.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 11.0 pt-20 -73.9 -29.47 62.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.686 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 15' ' ' MET . 40.8 tt0 -63.8 -56.45 15.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.41 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.612 ' HD2' ' CE3' ' A' ' 8' ' ' TRP . 99.7 mtt180 -64.81 -28.68 69.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.425 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HD2' ' HE1' ' A' ' 16' ' ' TRP . 16.2 tptm -61.26 -50.14 74.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.283 175.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 82.9 mttt -65.68 -32.28 73.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 90.7 mtp -55.92 -49.91 72.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.491 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.463 ' HE1' ' HD2' ' A' ' 13' ' ' LYS . 38.4 p-90 -78.55 -34.08 47.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.853 -177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt . . . . . 0 C--O 1.233 0.188 0 CA-C-O 121.215 0.531 . . . . 0.0 110.666 -179.029 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.619 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 90.3 t . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.45 -33.3 53.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.026 174.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.56 -57.19 9.83 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.1 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 17.8 p-90 -71.84 -31.53 66.61 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.322 -174.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 55.6 mtt180 -56.63 -51.78 67.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.069 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 12.1 pt-20 -73.78 -30.64 62.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.725 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 15' ' ' MET . 36.0 tt0 -62.25 -55.51 27.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.54 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.603 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 78.1 mtp180 -65.92 -29.14 69.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.417 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 16' ' ' TRP . 17.4 tptt -59.85 -49.53 77.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.709 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 34.4 mmtp -62.81 -32.01 73.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.552 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 88.8 mtp -60.92 -50.94 71.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.58 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.459 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 32.8 p-90 -77.82 -29.28 50.54 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.991 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 111.005 179.831 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.699 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 75.5 t . . . . . 0 N--CA 1.449 -0.479 0 CA-C-O 120.566 0.222 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -56.2 -33.6 65.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.451 0.643 . . . . 0.0 109.546 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -58.85 -56.44 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.205 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.699 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 30.0 p-90 -72.99 -30.6 63.93 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.594 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -58.68 -47.62 83.87 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.039 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 11.7 pt-20 -74.78 -30.05 61.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.409 177.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' MET . 37.9 tt0 -60.03 -54.71 42.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 67.4 mtp180 -63.18 -30.35 71.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HA ' ' CD1' ' A' ' 16' ' ' TRP . 12.7 mptt -65.84 -46.84 77.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.46 175.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 93.7 mttt -58.74 -35.54 72.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 31.1 mmt -57.16 -51.32 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 44.1 p-90 -79.18 -30.82 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.339 -177.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 121.182 0.515 . . . . 0.0 110.518 -178.168 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.541 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 75.4 t . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 120.645 0.26 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -51.94 -34.14 40.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.395 173.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -63.03 -57.71 9.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.688 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 21.1 p-90 -72.93 -32.95 65.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.821 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -55.93 -55.12 36.46 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 123.281 0.363 . . . . 0.0 111.017 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.34 -29.88 65.52 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.644 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 15' ' ' MET . 6.6 tp10 -60.46 -55.06 38.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.044 0.45 . . . . 0.0 110.134 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.458 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 81.5 mtp180 -69.92 -30.11 67.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.9 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.561 ' HD3' ' HE1' ' A' ' 16' ' ' TRP . 32.2 mmtt -58.89 -50.96 72.04 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.839 0.352 . . . . 0.0 110.784 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.56 -29.68 70.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.657 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 26.5 mmt -61.11 -51.45 69.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.561 ' HE1' ' HD3' ' A' ' 13' ' ' LYS . 48.9 p-90 -79.55 -31.95 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 111.291 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 121.296 0.57 . . . . 0.0 110.387 179.182 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.707 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 77.5 t . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.517 0.198 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -54.07 -34.03 59.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.091 0.472 . . . . 0.0 110.266 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -65.42 -55.19 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.033 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.707 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 25.5 p-90 -73.08 -31.78 64.58 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.727 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 67.3 mtt180 -55.47 -53.94 50.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -177.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.6 pt-20 -73.71 -30.22 62.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.601 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 15' ' ' MET . 35.9 tt0 -58.68 -51.67 68.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 110.325 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.551 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 70.7 mtp180 -66.65 -32.21 73.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.956 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.699 ' CD ' ' HE1' ' A' ' 16' ' ' TRP . 37.1 mmtm -64.72 -47.74 77.19 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.902 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 83.4 mttt -58.63 -34.86 71.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.431 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 26.2 mmt -58.74 -51.51 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.262 -177.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.699 ' HE1' ' CD ' ' A' ' 13' ' ' LYS . 40.3 p-90 -79.32 -34.15 42.55 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.352 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.0 mt . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.209 0.528 . . . . 0.0 110.455 -179.094 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.746 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 91.6 t . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 121.098 0.475 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -51.92 -33.38 36.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.5 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -69.66 -54.14 15.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.18 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.746 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 20.1 p-90 -71.96 -30.81 65.67 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.417 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -53.44 -54.64 34.04 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.263 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 10.5 pt-20 -73.95 -29.68 62.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.858 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 15' ' ' MET . 32.5 tt0 -61.46 -56.59 18.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.573 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.602 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 81.0 mtp180 -66.97 -28.4 68.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.367 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -56.99 -45.2 83.14 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.91 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 45.3 mmtm -66.03 -35.89 81.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.975 0.417 . . . . 0.0 110.257 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 25.5 mmt -59.64 -50.08 75.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.256 -175.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -77.57 -31.5 53.17 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.014 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.18 0.514 . . . . 0.0 110.102 -179.59 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.643 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 74.5 t . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 120.473 0.178 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 39.0 ttmt -54.13 -33.86 58.9 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.15 0.5 . . . . 0.0 110.19 177.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmpt? -64.01 -53.33 51.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.449 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.643 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.9 p-90 -72.12 -32.0 66.55 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.113 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.0 mtp180 -58.99 -50.68 73.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.933 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 12.1 pt-20 -73.89 -30.13 62.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 15' ' ' MET . 40.1 tt0 -60.9 -56.32 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.15 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.526 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 66.5 mtp180 -66.14 -29.99 70.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.747 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 19.6 tptt -61.07 -45.52 94.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.9 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -67.43 -33.3 74.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.636 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.571 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 95.0 mmm -60.53 -47.43 86.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.469 -177.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.416 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 35.7 p-90 -74.41 -30.41 61.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.8 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.5 177.249 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 70.8 p . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.355 0.121 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.75 -37.76 85.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.688 0.28 . . . . 0.0 110.258 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -60.31 -36.14 77.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.351 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -67.29 -39.75 86.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.342 0.591 . . . . 0.0 110.143 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.481 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 76.0 t -74.35 -43.37 49.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.873 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 38.7 ttmt -51.85 -34.21 39.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.517 176.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -60.26 -57.04 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.823 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CE3' ' HD3' ' A' ' 12' ' ' ARG . 20.1 p-90 -73.06 -32.74 65.24 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.221 -178.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 14.1 mtm180 -55.51 -54.8 39.39 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.538 -177.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 12.6 pt-20 -71.01 -28.82 64.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.695 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.662 ' O ' ' HG2' ' A' ' 15' ' ' MET . 35.6 tt0 -60.22 -56.75 17.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.909 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 79.0 mtp180 -69.13 -29.44 67.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.773 179.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 31.9 tptt -58.8 -52.48 65.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.93 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -65.62 -32.02 73.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.662 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 21.9 mmt -60.06 -47.73 84.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.071 -176.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.5 ' O ' HG12 ' A' ' 20' ' ' ILE . 26.9 p-90 -77.93 -32.19 51.46 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.592 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.4 -43.06 91.78 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.284 0.564 . . . . 0.0 110.787 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -72.59 -28.52 62.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.239 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 47.3 tptt -67.62 -25.59 65.82 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.813 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 16' ' ' TRP . 45.9 mm -59.03 -31.66 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-O 121.212 0.53 . . . . 0.0 110.422 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.2 t -98.49 -4.78 33.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.977 -177.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 119.18 -0.438 . . . . 0.0 110.253 -179.086 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -65.19 -30.41 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.986 0.422 . . . . 0.0 110.114 179.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -65.02 -34.73 79.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.409 174.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 24.8 m-20 -70.54 -28.8 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.08 0.467 . . . . 0.0 109.803 174.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.688 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 70.5 t -69.54 -50.36 51.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.115 174.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 58.2 mttp -52.61 -34.87 52.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.204 0.526 . . . . 0.0 109.818 174.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.558 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 38.0 ttmt -60.48 -57.04 14.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.298 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.688 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.1 p-90 -71.97 -31.08 65.92 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.278 -178.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -57.5 -52.69 64.35 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.886 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 11.8 pt-20 -74.17 -29.81 61.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.922 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.73 -56.05 21.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.219 178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 74.8 mtp180 -63.26 -28.47 70.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.555 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 tptt -55.37 -51.67 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.497 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' HD13 ' A' ' 18' ' ' LEU . 13.0 mptt -64.05 -38.76 92.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.718 175.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 97.6 mmm -55.92 -50.39 70.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.517 -175.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.489 ' O ' HG12 ' A' ' 20' ' ' ILE . 32.2 p-90 -74.36 -31.34 62.37 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.541 -177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.7 -44.94 92.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.218 0.532 . . . . 0.0 110.505 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 14' ' ' LYS . 8.7 mp -69.43 -32.38 71.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.238 176.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -71.3 -19.85 62.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.238 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 16' ' ' TRP . 45.7 mm -54.96 -53.73 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.022 0.439 . . . . 0.0 110.163 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.0 t -78.47 -35.77 46.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.897 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.3 t30 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.531 -179.628 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.663 -0.125 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 8.4 m-20 -65.76 -30.63 71.31 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 120.936 0.398 . . . . 0.0 109.955 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -38.54 90.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.627 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -63.74 -34.69 78.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.023 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.764 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 70.3 t -68.84 -51.2 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.783 177.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 2' ' ' ASP . 64.8 mttp -51.84 -37.33 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.049 176.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -62.5 -55.98 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.052 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.764 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.2 p-90 -72.74 -31.54 65.03 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.813 -175.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -59.05 -53.66 55.84 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.132 0.491 . . . . 0.0 110.646 -176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -73.67 -29.35 62.25 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.072 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 15' ' ' MET . 13.8 tp10 -63.07 -54.58 35.89 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.936 0.398 . . . . 0.0 109.939 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.575 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 76.1 mtp180 -64.37 -29.81 70.87 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.681 178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -59.46 -50.68 72.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.268 0.556 . . . . 0.0 109.604 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' HD13 ' A' ' 18' ' ' LEU . 58.0 mtpt -66.03 -29.35 69.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.763 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.537 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 90.8 mtp -60.67 -47.25 87.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.06 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.456 ' CE3' HD11 ' A' ' 20' ' ' ILE . 35.2 p-90 -78.04 -32.41 50.92 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.444 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.88 -40.98 99.19 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.307 0.575 . . . . 0.0 110.542 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 14' ' ' LYS . 7.7 mp -76.63 -19.19 58.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.739 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 7.8 ttpp -98.03 20.26 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.438 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.456 HD11 ' CE3' ' A' ' 16' ' ' TRP . 36.1 mm -78.71 -38.63 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 174.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.7 t -74.64 -29.4 61.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.936 176.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.41 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 28.4 t-20 . . . . . 0 C--O 1.245 0.821 0 CA-C-O 118.857 -0.592 . . . . 0.0 110.618 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 66.9 p . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.743 -0.095 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -58.88 -37.94 77.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.28 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.33 -42.64 96.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.796 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -65.35 -41.79 93.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.319 0.581 . . . . 0.0 110.329 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.632 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 53.7 t -65.71 -41.9 91.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.115 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -54.76 -33.33 61.15 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.492 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -64.8 -55.35 20.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.185 -179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.632 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 23.0 p-90 -72.2 -31.62 66.05 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.929 -176.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.2 mtt180 -53.55 -51.33 63.27 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.947 -177.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 11.0 pt-20 -73.9 -29.47 62.08 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.686 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 15' ' ' MET . 40.8 tt0 -63.8 -56.45 15.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.41 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.612 ' HD2' ' CE3' ' A' ' 8' ' ' TRP . 99.7 mtt180 -64.81 -28.68 69.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.425 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HD2' ' HE1' ' A' ' 16' ' ' TRP . 16.2 tptm -61.26 -50.14 74.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.283 175.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 82.9 mttt -65.68 -32.28 73.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.69 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.571 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 90.7 mtp -55.92 -49.91 72.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.491 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.463 ' HE1' ' HD2' ' A' ' 13' ' ' LYS . 38.4 p-90 -78.55 -34.08 47.37 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.853 -177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt -61.86 -52.63 63.36 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.215 0.531 . . . . 0.0 110.666 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.92 -26.98 63.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.067 -176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -70.81 -37.46 73.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.795 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.8 mt -66.34 -37.31 79.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 120.973 0.416 . . . . 0.0 110.972 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -76.34 -12.78 60.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.488 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.276 177.62 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 2' ' ' ASP . 12.2 m . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' N ' HG22 ' A' ' 1' ' ' THR . 5.2 m-20 -54.91 -42.55 72.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.843 0.354 . . . . 0.0 111.03 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -59.55 -31.08 69.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.596 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 24.4 m-20 -69.51 -29.2 66.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.105 0.478 . . . . 0.0 110.223 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.619 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 90.3 t -67.7 -44.43 85.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.093 175.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.45 -33.3 53.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.026 174.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 96.9 mttt -64.56 -57.19 9.83 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.1 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 17.8 p-90 -71.84 -31.53 66.61 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 120.216 -0.594 . . . . 0.0 110.322 -174.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 55.6 mtt180 -56.63 -51.78 67.4 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.069 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 12.1 pt-20 -73.78 -30.64 62.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.725 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 15' ' ' MET . 36.0 tt0 -62.25 -55.51 27.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.54 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.603 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 78.1 mtp180 -65.92 -29.14 69.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.417 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 16' ' ' TRP . 17.4 tptt -59.85 -49.53 77.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.709 175.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 34.4 mmtp -62.81 -32.01 73.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.552 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.523 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 88.8 mtp -60.92 -50.94 71.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.58 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.459 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 32.8 p-90 -77.82 -29.28 50.54 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.991 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.516 ' O ' ' HB3' ' A' ' 21' ' ' SER . 28.9 mt -62.18 -33.98 75.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 111.005 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 14' ' ' LYS . 8.1 mp -82.44 -13.62 56.46 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.046 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 15' ' ' MET . 32.5 mmmt -98.59 -44.92 6.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.79 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.5 mt -94.07 -34.04 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.001 0.429 . . . . 0.0 111.459 -173.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' LEU . 25.0 t -95.01 0.7 54.84 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.803 -173.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.104 179.17 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.0 p . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.35 -39.83 92.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.072 0.463 . . . . 0.0 109.88 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -58.61 -42.49 88.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.323 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 36.9 m-20 -68.89 -30.56 69.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.076 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.699 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 75.5 t -72.16 -49.73 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.528 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -56.2 -33.6 65.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.451 0.643 . . . . 0.0 109.546 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 4' ' ' ASP . 39.4 ttmt -58.85 -56.44 22.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.205 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.699 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 30.0 p-90 -72.99 -30.6 63.93 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.594 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -58.68 -47.62 83.87 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.039 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 11.7 pt-20 -74.78 -30.05 61.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.409 177.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' MET . 37.9 tt0 -60.03 -54.71 42.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 67.4 mtp180 -63.18 -30.35 71.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HA ' ' CD1' ' A' ' 16' ' ' TRP . 12.7 mptt -65.84 -46.84 77.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.46 175.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.539 ' O ' HD13 ' A' ' 18' ' ' LEU . 93.7 mttt -58.74 -35.54 72.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 31.1 mmt -57.16 -51.32 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.61 -178.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 44.1 p-90 -79.18 -30.82 43.63 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.339 -177.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.9 mt -60.49 -42.96 97.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.182 0.515 . . . . 0.0 110.518 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 14' ' ' LYS . 9.8 mp -71.11 -26.89 63.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.932 179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 15' ' ' MET . 67.1 mttm -84.93 -2.5 57.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.61 -176.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 36.4 mm -62.02 -35.63 69.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.125 0.488 . . . . 0.0 110.372 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 m -84.18 -6.99 59.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.388 -176.774 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.454 ' OD2' ' HE3' ' A' ' 6' ' ' LYS . 28.4 t70 -59.47 -39.71 84.56 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.81 -32.61 73.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.913 0.387 . . . . 0.0 111.327 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -67.78 -34.6 77.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.267 0.556 . . . . 0.0 109.735 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.541 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 75.4 t -72.3 -41.64 65.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.381 176.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.454 ' HE3' ' OD2' ' A' ' 2' ' ' ASP . 97.6 mttt -51.94 -34.14 40.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.395 173.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -63.03 -57.71 9.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.688 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 21.1 p-90 -72.93 -32.95 65.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.821 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -55.93 -55.12 36.46 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 123.281 0.363 . . . . 0.0 111.017 -177.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.34 -29.88 65.52 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.644 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 15' ' ' MET . 6.6 tp10 -60.46 -55.06 38.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.044 0.45 . . . . 0.0 110.134 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 81.5 mtp180 -69.92 -30.11 67.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.9 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.561 ' HD3' ' HE1' ' A' ' 16' ' ' TRP . 32.2 mmtt -58.89 -50.96 72.04 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.839 0.352 . . . . 0.0 110.784 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -62.56 -29.68 70.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.657 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 26.5 mmt -61.11 -51.45 69.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.561 ' HE1' ' HD3' ' A' ' 13' ' ' LYS . 48.9 p-90 -79.55 -31.95 42.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 111.291 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.9 mt -61.23 -46.36 90.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.296 0.57 . . . . 0.0 110.387 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.7 mp -72.41 -24.51 61.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.701 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -64.12 -44.53 91.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.93 0.395 . . . . 0.0 109.974 176.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 56.1 mt -74.66 -17.61 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.474 0.654 . . . . 0.0 110.236 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -74.42 -4.19 35.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.876 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.545 -0.74 . . . . 0.0 109.53 175.322 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 110.766 -0.087 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.17 -30.38 70.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.772 0.32 . . . . 0.0 110.359 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.9 -42.54 94.07 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.324 174.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -64.26 -35.21 80.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.962 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.707 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 77.5 t -66.89 -46.74 84.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.992 178.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -54.07 -34.03 59.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.091 0.472 . . . . 0.0 110.266 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -65.42 -55.19 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.033 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.707 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 25.5 p-90 -73.08 -31.78 64.58 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.727 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' LYS . 67.3 mtt180 -55.47 -53.94 50.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -177.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 12.6 pt-20 -73.71 -30.22 62.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.601 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 15' ' ' MET . 35.9 tt0 -58.68 -51.67 68.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 110.325 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.551 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 70.7 mtp180 -66.65 -32.21 73.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.956 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.699 ' CD ' ' HE1' ' A' ' 16' ' ' TRP . 37.1 mmtm -64.72 -47.74 77.19 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.902 176.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 83.4 mttt -58.63 -34.86 71.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.431 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 26.2 mmt -58.74 -51.51 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.262 -177.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.699 ' HE1' ' CD ' ' A' ' 13' ' ' LYS . 40.3 p-90 -79.32 -34.15 42.55 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.352 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.0 mt -60.25 -51.16 70.75 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.209 0.528 . . . . 0.0 110.455 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.39 -26.92 62.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.77 -178.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -64.7 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 0.0 110.404 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 16' ' ' TRP . 65.3 mt -78.34 -40.61 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.964 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.2 p -73.33 -30.1 63.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.65 -176.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.652 -0.689 . . . . 0.0 110.31 178.421 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -55.9 -41.78 75.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.944 0.338 . . . . 0.0 111.799 -175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -55.07 -36.44 65.62 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.71 -43.93 87.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.222 0.534 . . . . 0.0 109.91 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.746 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 91.6 t -67.72 -47.34 80.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.585 178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -51.92 -33.38 36.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.5 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -69.66 -54.14 15.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.18 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.746 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 20.1 p-90 -71.96 -30.81 65.67 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.417 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -53.44 -54.64 34.04 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.263 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 10.5 pt-20 -73.95 -29.68 62.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.858 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 15' ' ' MET . 32.5 tt0 -61.46 -56.59 18.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.573 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.602 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 81.0 mtp180 -66.97 -28.4 68.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.367 179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -56.99 -45.2 83.14 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.91 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 45.3 mmtm -66.03 -35.89 81.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.975 0.417 . . . . 0.0 110.257 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 25.5 mmt -59.64 -50.08 75.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.256 -175.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -77.57 -31.5 53.17 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.014 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.6 mt -64.3 -49.46 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.18 0.514 . . . . 0.0 110.102 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mp -72.32 -24.96 61.38 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.667 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -66.77 -25.31 66.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.147 0.499 . . . . 0.0 110.572 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.0 mt -90.51 -37.52 9.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.0 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.3 p -81.63 -32.49 31.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.466 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.446 HD22 ' N ' ' A' ' 22' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.595 -178.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 2' ' ' ASP . 1.4 m . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.558 ' H ' HG22 ' A' ' 1' ' ' THR . 26.6 t70 -55.4 -37.29 67.42 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 117.753 0.252 . . . . 0.0 111.263 179.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -54.85 -38.53 67.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.189 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.61 -45.16 72.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.18 0.514 . . . . 0.0 110.5 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.643 ' HA ' ' CD1' ' A' ' 8' ' ' TRP . 74.5 t -68.55 -48.24 73.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.203 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 39.0 ttmt -54.13 -33.86 58.9 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 121.15 0.5 . . . . 0.0 110.19 177.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 tmpt? -64.01 -53.33 51.65 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.449 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.643 ' CD1' ' HA ' ' A' ' 5' ' ' VAL . 22.9 p-90 -72.12 -32.0 66.55 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.113 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.0 mtp180 -58.99 -50.68 73.17 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.933 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 12.1 pt-20 -73.89 -30.13 62.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.576 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 15' ' ' MET . 40.1 tt0 -60.9 -56.32 22.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.15 177.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.526 ' HD3' ' CE3' ' A' ' 8' ' ' TRP . 66.5 mtp180 -66.14 -29.99 70.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.747 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 19.6 tptt -61.07 -45.52 94.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.9 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.772 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 14.6 mmmm -67.43 -33.3 74.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.636 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.571 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 95.0 mmm -60.53 -47.43 86.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.469 -177.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.416 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 35.7 p-90 -74.41 -30.41 61.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.8 mt -61.33 -40.41 94.13 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.5 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.772 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 22.0 mt -67.84 -40.02 83.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.921 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.71 -43.9 97.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.359 -177.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.9 mt -79.38 -17.76 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.178 0.513 . . . . 0.0 110.82 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -85.13 -5.05 59.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.461 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.463 -0.78 . . . . 0.0 110.445 179.56 . . . . . . . . 0 0 . 1 stop_ save_